 Entering Gaussian System, Link 0=g16
 Input=25_methylisochromane_Boat_STD_wB97XD-augccpVDZr.in
 Output=25_methylisochromane_Boat_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/25_methylisochromane_Boat_STD/Gau-25867.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/25_methylisochromane_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     25868.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                18-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=25_methylisochromane_Boat_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sun Jul 18 13:05:40 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "25_methylisochromane_Boat_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.556893000000      0.962771000000     -0.130925000000
  C                                                 2.806469000000     -0.381564000000      0.128707000000
  C                                                 1.251477000000      1.398833000000     -0.297104000000
  C                                                 0.177898000000      0.511952000000     -0.211676000000
  C                                                 0.433041000000     -0.835657000000      0.047582000000
  C                                                 1.746757000000     -1.271183000000      0.213760000000
  C                                                -1.245374000000      1.001383000000     -0.374974000000
  C                                                -2.153843000000     -0.180074000000     -0.705730000000
  O                                                -1.975330000000     -1.227911000000      0.235605000000
  C                                                -0.702105000000     -1.829642000000      0.110251000000
  H                                                 3.377111000000      1.665240000000     -0.203600000000
  H                                                 3.821503000000     -0.731857000000      0.264537000000
  H                                                 1.055538000000      2.445124000000     -0.502408000000
  H                                                 1.938106000000     -2.319299000000      0.415829000000
  H                                                -1.275680000000      1.696610000000     -1.220779000000
  C                                                -1.728541000000      1.739012000000      0.880156000000
  H                                                -1.947031000000     -0.549488000000     -1.719780000000
  H                                                -3.204706000000      0.105294000000     -0.652132000000
  H                                                -0.679840000000     -2.462779000000     -0.790780000000
  H                                                -0.587050000000     -2.485409000000      0.974413000000
  H                                                -1.772163000000      1.053131000000      1.726763000000
  H                                                -2.725724000000      2.156512000000      0.723367000000
  H                                                -1.053454000000      2.555217000000      1.139441000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1
 NAtoms=     23 NQM=       23 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          16          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Sun Jul 18 13:05:40 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.556893    0.962771   -0.130925
      2          6           0        2.806469   -0.381564    0.128707
      3          6           0        1.251477    1.398833   -0.297104
      4          6           0        0.177898    0.511952   -0.211676
      5          6           0        0.433041   -0.835657    0.047582
      6          6           0        1.746757   -1.271183    0.213760
      7          6           0       -1.245374    1.001383   -0.374974
      8          6           0       -2.153843   -0.180074   -0.705730
      9          8           0       -1.975330   -1.227911    0.235605
     10          6           0       -0.702105   -1.829642    0.110251
     11          1           0        3.377111    1.665240   -0.203600
     12          1           0        3.821503   -0.731857    0.264537
     13          1           0        1.055538    2.445124   -0.502408
     14          1           0        1.938106   -2.319299    0.415829
     15          1           0       -1.275680    1.696610   -1.220779
     16          6           0       -1.728541    1.739012    0.880156
     17          1           0       -1.947031   -0.549488   -1.719780
     18          1           0       -3.204706    0.105294   -0.652132
     19          1           0       -0.679840   -2.462779   -0.790780
     20          1           0       -0.587050   -2.485409    0.974413
     21          1           0       -1.772163    1.053131    1.726763
     22          1           0       -2.725724    2.156512    0.723367
     23          1           0       -1.053454    2.555217    1.139441
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.391738   0.000000
     3  C    1.386318   2.401901   0.000000
     4  C    2.422679   2.797073   1.395144   0.000000
     5  C    2.788719   2.417838   2.404494   1.395838   0.000000
     6  C    2.401183   1.386234   2.763199   2.412858   1.393968
     7  C    3.810287   4.310878   2.529485   1.513906   2.523955
     8  C    4.881345   5.034042   3.775729   2.481936   2.772947
     9  O    5.047225   4.857297   4.194740   2.804207   2.447339
    10  C    4.298465   3.795703   3.795454   2.522123   1.510129
    11  H    1.082359   2.150690   2.144303   3.400750   3.871063
    12  H    2.151138   1.082335   3.385309   3.879394   3.396987
    13  H    2.142297   3.384410   1.084097   2.142879   3.384304
    14  H    3.384349   2.142734   3.847628   3.392356   2.145232
    15  H    4.051533   4.775339   2.707096   2.129458   3.307695
    16  C    4.470993   5.062394   3.222138   2.516403   3.463313
    17  H    5.009663   5.103025   4.006297   2.813602   2.978289
    18  H    5.848329   6.081198   4.653693   3.435314   3.822066
    19  H    4.758807   4.163083   4.345774   3.149619   2.142167
    20  H    4.795424   4.081342   4.481548   3.313024   2.149717
    21  H    4.711677   5.057272   3.654852   2.802349   3.354116
    22  H    5.482780   6.115604   4.175352   3.465531   4.403130
    23  H    4.145397   4.954318   2.951879   2.741656   3.860032
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.803158   0.000000
     8  C    4.153392   1.526616   0.000000
     9  O    3.722403   2.423921   1.419838   0.000000
    10  C    2.513865   2.923232   2.344023   1.413823   0.000000
    11  H    3.384498   4.673055   5.852245   6.100152   5.380772
    12  H    2.144300   5.393175   6.078704   5.818091   4.657463
    13  H    3.847287   2.719342   4.151281   4.818922   4.662433
    14  H    1.084432   4.667638   4.751655   4.066767   2.702565
    15  H    4.472228   1.095283   2.135038   3.341166   3.812490
    16  C    4.645757   1.533916   2.525630   3.046142   3.792310
    17  H    4.231252   2.169338   1.098879   2.069925   2.556883
    18  H    5.211664   2.172274   1.090239   2.019128   3.253954
    19  H    2.883986   3.534564   2.718577   2.063167   1.101460
    20  H    2.738538   3.796308   3.254580   2.013569   1.090891
    21  H    4.480448   2.167368   2.753815   2.732761   3.473977
    22  H    5.657904   2.175342   2.798035   3.500760   4.512247
    23  H    4.831087   2.178230   3.478121   3.997353   4.517706
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.482481   0.000000
    13  H    2.467226   4.281586   0.000000
    14  H    4.281469   2.467802   4.931715   0.000000
    15  H    4.762783   5.838227   2.551648   5.397632   0.000000
    16  C    5.219928   6.106322   3.187660   5.489061   2.149607
    17  H    5.962408   6.103012   4.411929   4.773609   2.396804
    18  H    6.779006   7.135034   4.862808   5.785128   2.564525
    19  H    5.817574   4.936788   5.213656   2.886197   4.223795
    20  H    5.859196   4.797313   5.402708   2.591529   4.773087
    21  H    5.533173   6.050900   3.860407   5.182464   3.057542
    22  H    6.192351   7.170731   3.985444   6.471381   2.468571
    23  H    4.714417   5.944369   2.675002   5.764890   2.521355
                   16         17         18         19         20
    16  C    0.000000
    17  H    3.470538   0.000000
    18  H    2.682537   1.774925   0.000000
    19  H    4.641858   2.475782   3.604049   0.000000
    20  H    4.376942   3.585528   4.026104   1.767775   0.000000
    21  H    1.090449   3.804947   2.934232   4.460136   3.806808
    22  H    1.092366   3.727971   2.515734   5.274100   5.117068
    23  H    1.090487   4.314257   3.720180   5.389399   5.064847
                   21         22         23
    21  H    0.000000
    22  H    1.770178   0.000000
    23  H    1.765716   1.768776   0.000000
 Stoichiometry    C10H12O
 Framework group  C1[X(C10H12O)]
 Deg. of freedom    63
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.64D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.556893    0.962771   -0.130925
      2          6           0        2.806469   -0.381564    0.128707
      3          6           0        1.251477    1.398833   -0.297104
      4          6           0        0.177898    0.511952   -0.211676
      5          6           0        0.433041   -0.835657    0.047582
      6          6           0        1.746757   -1.271183    0.213760
      7          6           0       -1.245374    1.001383   -0.374974
      8          6           0       -2.153843   -0.180074   -0.705730
      9          8           0       -1.975330   -1.227911    0.235605
     10          6           0       -0.702105   -1.829642    0.110251
     11          1           0        3.377111    1.665240   -0.203600
     12          1           0        3.821503   -0.731857    0.264537
     13          1           0        1.055538    2.445124   -0.502408
     14          1           0        1.938106   -2.319299    0.415829
     15          1           0       -1.275680    1.696610   -1.220779
     16          6           0       -1.728541    1.739012    0.880156
     17          1           0       -1.947031   -0.549488   -1.719780
     18          1           0       -3.204706    0.105294   -0.652132
     19          1           0       -0.679840   -2.462779   -0.790780
     20          1           0       -0.587050   -2.485409    0.974413
     21          1           0       -1.772163    1.053131    1.726763
     22          1           0       -2.725724    2.156512    0.723367
     23          1           0       -1.053454    2.555217    1.139441
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9809331           1.0075309           0.7304582
 Leave Link  202 at Sun Jul 18 13:05:41 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     17     18     19     20     21
 Centers:      22     23
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     10     16
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 404 were deleted.
 There are   383 symmetry adapted cartesian basis functions of A   symmetry.
 There are   361 symmetry adapted basis functions of A   symmetry.
   361 basis functions,   661 primitive gaussians,   383 cartesian basis functions
    40 alpha electrons       40 beta electrons
       nuclear repulsion energy       608.7582623565 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   23 NActive=   23 NUniq=   23 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0151197694 Hartrees.
 Nuclear repulsion after empirical dispersion term =      608.7431425871 Hartrees.
 Leave Link  301 at Sun Jul 18 13:05:43 2021, MaxMem=  5637144576 cpu:              15.8 elap:               2.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   361 RedAO= T EigKep=  1.17D-06  NBF=   361
 NBsUse=   361 1.00D-06 EigRej= -1.00D+00 NBFU=   361
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   383   383   383   383   383 MxSgAt=    23 MxSgA2=    23.
 Leave Link  302 at Sun Jul 18 13:05:44 2021, MaxMem=  5637144576 cpu:               5.5 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sun Jul 18 13:05:45 2021, MaxMem=  5637144576 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "25_methylisochromane_Boat_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sun Jul 18 13:05:46 2021, MaxMem=  5637144576 cpu:               8.1 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636844431 LenY=  5636697301
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -463.409555004627    
 DIIS: error= 1.79D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -463.409555004627     IErMin= 1 ErrMin= 1.79D-03
 ErrMax= 1.79D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.41D-03 BMatP= 5.41D-03
 IDIUse=3 WtCom= 9.82D-01 WtEn= 1.79D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.371 Goal=   None    Shift=    0.000
 GapD=    0.371 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.23D-02 MaxDP=3.95D+00              OVMax= 1.21D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.95D-02    CP:  1.24D+00
 E= -463.413799521802     Delta-E=       -0.004244517175 Rises=F Damp=F
 DIIS: error= 3.00D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -463.413799521802     IErMin= 2 ErrMin= 3.00D-04
 ErrMax= 3.00D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-04 BMatP= 5.41D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.00D-03
 Coeff-Com: -0.274D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.273D-01 0.103D+01
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=8.19D-03 MaxDP=6.46D-01 DE=-4.24D-03 OVMax= 4.49D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.78D-03    CP:  1.29D+00  1.14D+00
 E= -463.413890304103     Delta-E=       -0.000090782301 Rises=F Damp=F
 DIIS: error= 3.56D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -463.413890304103     IErMin= 2 ErrMin= 3.00D-04
 ErrMax= 3.56D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.47D-05 BMatP= 1.14D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.56D-03
 Coeff-Com: -0.353D-01 0.500D+00 0.535D+00
 Coeff-En:   0.000D+00 0.133D-01 0.987D+00
 Coeff:     -0.351D-01 0.498D+00 0.537D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=6.47D-04 MaxDP=4.94D-02 DE=-9.08D-05 OVMax= 1.82D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.26D-04    CP:  1.30D+00  1.15D+00  1.10D+00
 E= -463.413956348368     Delta-E=       -0.000066044264 Rises=F Damp=F
 DIIS: error= 5.37D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -463.413956348368     IErMin= 4 ErrMin= 5.37D-05
 ErrMax= 5.37D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-06 BMatP= 9.47D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.429D-02-0.285D-02 0.132D+00 0.875D+00
 Coeff:     -0.429D-02-0.285D-02 0.132D+00 0.875D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=3.18D-04 MaxDP=2.43D-02 DE=-6.60D-05 OVMax= 6.99D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.19D-05    CP:  1.30D+00  1.16D+00  1.16D+00  1.42D+00
 E= -463.413959818883     Delta-E=       -0.000003470515 Rises=F Damp=F
 DIIS: error= 1.27D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -463.413959818883     IErMin= 5 ErrMin= 1.27D-05
 ErrMax= 1.27D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.54D-07 BMatP= 3.14D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.173D-02-0.442D-01-0.120D-01 0.239D+00 0.816D+00
 Coeff:      0.173D-02-0.442D-01-0.120D-01 0.239D+00 0.816D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=4.86D-05 MaxDP=2.16D-03 DE=-3.47D-06 OVMax= 2.03D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.55D-05    CP:  1.30D+00  1.16D+00  1.18D+00  1.54D+00  1.16D+00
 E= -463.413960165861     Delta-E=       -0.000000346978 Rises=F Damp=F
 DIIS: error= 4.94D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -463.413960165861     IErMin= 6 ErrMin= 4.94D-06
 ErrMax= 4.94D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.71D-08 BMatP= 2.54D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.809D-03-0.129D-01-0.116D-01 0.171D-01 0.273D+00 0.733D+00
 Coeff:      0.809D-03-0.129D-01-0.116D-01 0.171D-01 0.273D+00 0.733D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=1.72D-05 MaxDP=1.33D-03 DE=-3.47D-07 OVMax= 7.20D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.27D-06    CP:  1.30D+00  1.16D+00  1.18D+00  1.57D+00  1.21D+00
                    CP:  1.09D+00
 E= -463.413960203381     Delta-E=       -0.000000037520 Rises=F Damp=F
 DIIS: error= 1.68D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -463.413960203381     IErMin= 7 ErrMin= 1.68D-06
 ErrMax= 1.68D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.33D-09 BMatP= 2.71D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.993D-04 0.281D-03-0.223D-02-0.206D-01-0.258D-02 0.232D+00
 Coeff-Com:  0.793D+00
 Coeff:      0.993D-04 0.281D-03-0.223D-02-0.206D-01-0.258D-02 0.232D+00
 Coeff:      0.793D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=9.16D-06 MaxDP=7.15D-04 DE=-3.75D-08 OVMax= 3.13D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.74D-06    CP:  1.30D+00  1.16D+00  1.18D+00  1.58D+00  1.22D+00
                    CP:  1.15D+00  1.08D+00
 E= -463.413960208415     Delta-E=       -0.000000005034 Rises=F Damp=F
 DIIS: error= 7.26D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -463.413960208415     IErMin= 8 ErrMin= 7.26D-07
 ErrMax= 7.26D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.77D-10 BMatP= 3.33D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.874D-04 0.204D-02 0.993D-03-0.116D-01-0.452D-01-0.188D-01
 Coeff-Com:  0.326D+00 0.747D+00
 Coeff:     -0.874D-04 0.204D-02 0.993D-03-0.116D-01-0.452D-01-0.188D-01
 Coeff:      0.326D+00 0.747D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=2.91D-06 MaxDP=2.16D-04 DE=-5.03D-09 OVMax= 1.34D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.28D-07    CP:  1.30D+00  1.16D+00  1.17D+00  1.58D+00  1.23D+00
                    CP:  1.16D+00  1.16D+00  1.04D+00
 E= -463.413960209315     Delta-E=       -0.000000000900 Rises=F Damp=F
 DIIS: error= 1.47D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -463.413960209315     IErMin= 9 ErrMin= 1.47D-07
 ErrMax= 1.47D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.49D-11 BMatP= 5.77D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.263D-04 0.486D-03 0.396D-03-0.153D-02-0.110D-01-0.191D-01
 Coeff-Com:  0.266D-01 0.193D+00 0.811D+00
 Coeff:     -0.263D-04 0.486D-03 0.396D-03-0.153D-02-0.110D-01-0.191D-01
 Coeff:      0.266D-01 0.193D+00 0.811D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=3.49D-07 MaxDP=1.59D-05 DE=-9.00D-10 OVMax= 3.33D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.26D-07    CP:  1.30D+00  1.16D+00  1.17D+00  1.58D+00  1.23D+00
                    CP:  1.16D+00  1.16D+00  1.08D+00  1.00D+00
 E= -463.413960209310     Delta-E=        0.000000000004 Rises=F Damp=F
 DIIS: error= 5.69D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -463.413960209315     IErMin=10 ErrMin= 5.69D-08
 ErrMax= 5.69D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.49D-12 BMatP= 2.49D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.962D-06-0.871D-04 0.234D-04 0.108D-02 0.204D-02-0.469D-02
 Coeff-Com: -0.358D-01-0.271D-01 0.306D+00 0.759D+00
 Coeff:      0.962D-06-0.871D-04 0.234D-04 0.108D-02 0.204D-02-0.469D-02
 Coeff:     -0.358D-01-0.271D-01 0.306D+00 0.759D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=3.18D-07 MaxDP=2.20D-05 DE= 4.32D-12 OVMax= 1.20D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.58D-08    CP:  1.30D+00  1.16D+00  1.17D+00  1.58D+00  1.23D+00
                    CP:  1.15D+00  1.16D+00  1.09D+00  1.06D+00  1.03D+00
 E= -463.413960209373     Delta-E=       -0.000000000063 Rises=F Damp=F
 DIIS: error= 1.37D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -463.413960209373     IErMin=11 ErrMin= 1.37D-08
 ErrMax= 1.37D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.90D-13 BMatP= 4.49D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.286D-05-0.694D-04-0.384D-04 0.417D-03 0.148D-02 0.666D-03
 Coeff-Com: -0.110D-01-0.253D-01-0.256D-02 0.185D+00 0.852D+00
 Coeff:      0.286D-05-0.694D-04-0.384D-04 0.417D-03 0.148D-02 0.666D-03
 Coeff:     -0.110D-01-0.253D-01-0.256D-02 0.185D+00 0.852D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=9.35D-08 MaxDP=6.59D-06 DE=-6.28D-11 OVMax= 4.13D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.71D-08    CP:  1.30D+00  1.16D+00  1.17D+00  1.58D+00  1.23D+00
                    CP:  1.15D+00  1.16D+00  1.09D+00  1.06D+00  1.11D+00
                    CP:  1.11D+00
 E= -463.413960209369     Delta-E=        0.000000000004 Rises=F Damp=F
 DIIS: error= 6.24D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -463.413960209373     IErMin=12 ErrMin= 6.24D-09
 ErrMax= 6.24D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.41D-14 BMatP= 2.90D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.735D-06-0.124D-04-0.150D-04 0.291D-04 0.242D-03 0.725D-03
 Coeff-Com:  0.242D-03-0.576D-02-0.316D-01-0.136D-01 0.308D+00 0.742D+00
 Coeff:      0.735D-06-0.124D-04-0.150D-04 0.291D-04 0.242D-03 0.725D-03
 Coeff:      0.242D-03-0.576D-02-0.316D-01-0.136D-01 0.308D+00 0.742D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=1.05D-08 MaxDP=6.30D-07 DE= 3.64D-12 OVMax= 2.03D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  5.63D-09    CP:  1.30D+00  1.16D+00  1.17D+00  1.58D+00  1.23D+00
                    CP:  1.15D+00  1.16D+00  1.09D+00  1.06D+00  1.12D+00
                    CP:  1.16D+00  9.78D-01
 E= -463.413960209361     Delta-E=        0.000000000008 Rises=F Damp=F
 DIIS: error= 3.64D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -463.413960209373     IErMin=13 ErrMin= 3.64D-09
 ErrMax= 3.64D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.39D-15 BMatP= 5.41D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.248D-06 0.840D-05 0.152D-05-0.665D-04-0.194D-03 0.161D-03
 Coeff-Com:  0.217D-02 0.237D-02-0.120D-01-0.412D-01-0.413D-01 0.262D+00
 Coeff-Com:  0.828D+00
 Coeff:     -0.248D-06 0.840D-05 0.152D-05-0.665D-04-0.194D-03 0.161D-03
 Coeff:      0.217D-02 0.237D-02-0.120D-01-0.412D-01-0.413D-01 0.262D+00
 Coeff:      0.828D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=5.00D-09 MaxDP=3.65D-07 DE= 7.96D-12 OVMax= 9.78D-08

 SCF Done:  E(RwB97XD) =  -463.413960209     A.U. after   13 cycles
            NFock= 13  Conv=0.50D-08     -V/T= 2.0060
 KE= 4.606392184387D+02 PE=-2.294348961858D+03 EE= 7.615526406232D+02
 Leave Link  502 at Sun Jul 18 13:15:37 2021, MaxMem=  5637144576 cpu:            4683.8 elap:             590.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   361
 NBasis=   361 NAE=    40 NBE=    40 NFC=     0 NFV=     0
 NROrb=    361 NOA=    40 NOB=    40 NVA=   321 NVB=   321

 **** Warning!!: The largest alpha MO coefficient is  0.12164182D+03

 Leave Link  801 at Sun Jul 18 13:15:37 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7107 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          23
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.14D-13 8.33D-09 XBig12= 1.00D+00 2.57D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.14D-13 8.33D-09 XBig12= 1.94D-01 5.10D-02.
     11 vectors produced by pass  2 Test12= 2.14D-13 8.33D-09 XBig12= 3.86D-02 4.17D-02.
     11 vectors produced by pass  3 Test12= 2.14D-13 8.33D-09 XBig12= 3.12D-03 1.01D-02.
     11 vectors produced by pass  4 Test12= 2.14D-13 8.33D-09 XBig12= 3.81D-04 3.43D-03.
     11 vectors produced by pass  5 Test12= 2.14D-13 8.33D-09 XBig12= 2.22D-05 6.87D-04.
     11 vectors produced by pass  6 Test12= 2.14D-13 8.33D-09 XBig12= 7.66D-07 1.22D-04.
     11 vectors produced by pass  7 Test12= 2.14D-13 8.33D-09 XBig12= 2.55D-08 1.85D-05.
     11 vectors produced by pass  8 Test12= 2.14D-13 8.33D-09 XBig12= 6.88D-10 3.66D-06.
     11 vectors produced by pass  9 Test12= 2.14D-13 8.33D-09 XBig12= 1.89D-11 6.31D-07.
      8 vectors produced by pass 10 Test12= 2.14D-13 8.33D-09 XBig12= 4.43D-13 8.37D-08.
      2 vectors produced by pass 11 Test12= 2.14D-13 8.33D-09 XBig12= 1.74D-14 1.33D-08.
      1 vectors produced by pass 12 Test12= 2.14D-13 8.33D-09 XBig12= 1.71D-14 1.57D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   121 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.149408D+03
      2 -0.240749D+01  0.130878D+03
      3  0.264774D+01 -0.380498D+01  0.875999D+02
 Isotropic polarizability for W=    0.085645      122.63 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.143809D+03  0.144442D+02  0.310774D+01
      2  -0.744283D+02  0.604287D+01  0.100798D+02
      3  -0.693802D+02 -0.204871D+02 -0.131876D+02
      4   0.516407D+02  0.700009D+02 -0.275386D+02
      5   0.177104D+01 -0.289127D+02 -0.123486D+02
      6  -0.130343D+02  0.766361D+01  0.161248D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.211360D+01 -0.557183D+01 -0.119410D+02
      2   0.743400D+01 -0.118981D+02 -0.267867D+01
      3   0.544232D+01 -0.504940D+02  0.911190D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.137403D+01 -0.241623D+01 -0.366119D+02
      2   0.133670D+01 -0.145044D+02  0.570316D+02
      3   0.371965D+02 -0.144429D+03  0.158784D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.173663D+01 -0.600485D+00  0.169774D+01
      2  -0.600485D+00  0.198666D+01  0.236847D+01
      3   0.169774D+01  0.236847D+01 -0.922671D+00
 OR G Eigenvalues:    -3.7908    -0.2140     3.3321  Iso=     0.2242
 Eigenvectors:
   (1)  -0.655909  -0.343683   0.672060
   (2)   0.751817  -0.377045   0.540933
   (3)   0.067488   0.860069   0.505694
 w=    0.085645 a.u., Optical Rotation Beta=      0.2242 au.
 Molar Mass =    148.2042 grams/mole, [Alpha] ( 5320.0 A) =       71.75 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   65341 ScalPx= 2.96D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   65341 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.26D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.57D-14 2.78D-09 XBig12= 1.00D+00 3.07D-01.
     30 vectors produced by pass  1 Test12= 3.57D-14 2.78D-09 XBig12= 2.83D-02 2.99D-02.
     30 vectors produced by pass  2 Test12= 3.57D-14 2.78D-09 XBig12= 1.73D-03 4.85D-03.
     30 vectors produced by pass  3 Test12= 3.57D-14 2.78D-09 XBig12= 2.97D-05 7.14D-04.
     30 vectors produced by pass  4 Test12= 3.57D-14 2.78D-09 XBig12= 5.65D-07 8.36D-05.
     30 vectors produced by pass  5 Test12= 3.57D-14 2.78D-09 XBig12= 8.47D-09 9.92D-06.
     30 vectors produced by pass  6 Test12= 3.57D-14 2.78D-09 XBig12= 1.01D-10 1.32D-06.
     30 vectors produced by pass  7 Test12= 3.57D-14 2.78D-09 XBig12= 9.25D-13 1.26D-07.
     12 vectors produced by pass  8 Test12= 3.57D-14 2.78D-09 XBig12= 8.96D-15 9.27D-09.
      5 vectors produced by pass  9 Test12= 3.57D-14 2.78D-09 XBig12= 1.86D-15 4.94D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   257 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   65341 ScalPx= 4.99D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   65341 ScalPx= 4.99D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   65341 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.81D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149408D+03 -0.240749D+01  0.264774D+01
      2  -0.240749D+01  0.130878D+03 -0.380498D+01
      3   0.264774D+01 -0.380498D+01  0.875999D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.211360D+01 -0.557183D+01 -0.119410D+02
      2   0.743400D+01 -0.118981D+02 -0.267867D+01
      3   0.544232D+01 -0.504940D+02  0.911190D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.143809D+03  0.144442D+02  0.310774D+01
      2  -0.744283D+02  0.604287D+01  0.100798D+02
      3  -0.693802D+02 -0.204871D+02 -0.131876D+02
      4   0.516407D+02  0.700009D+02 -0.275386D+02
      5   0.177104D+01 -0.289127D+02 -0.123486D+02
      6  -0.130343D+02  0.766361D+01  0.161248D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.216282D+01  0.204059D+01 -0.383842D+00  0.500960D+01 -0.954389D+00
      2   0.204059D+01  0.227001D+01 -0.605912D+00 -0.954389D+00  0.259204D+01
      3  -0.383842D+00 -0.605912D+00  0.246766D+01  0.957298D+00  0.104123D+01
                 6             7             8             9            10 
      1   0.957298D+00 -0.141670D+01  0.794710D+00  0.428048D+01  0.569636D+01
      2   0.104123D+01  0.794710D+00  0.738802D+00  0.293855D+01 -0.134316D+01
      3   0.200127D+01  0.428048D+01  0.293855D+01 -0.820416D+00 -0.396481D+00
                11            12            13            14            15 
      1  -0.134316D+01 -0.396481D+00 -0.254471D+01 -0.161592D+01  0.117400D+01
      2   0.285448D+01 -0.805246D-01 -0.161592D+01 -0.259451D+01 -0.843011D+00
      3  -0.805246D-01  0.285273D+01  0.117400D+01 -0.843011D+00 -0.862441D+00
                16            17            18            19            20 
      1  -0.744622D-02  0.128932D+01  0.518736D+01  0.974584D-01 -0.509068D+01
      2   0.128932D+01  0.111045D+00 -0.138407D+01 -0.509068D+01 -0.175603D+00
      3   0.518736D+01 -0.138407D+01  0.140222D+01  0.325161D+00 -0.205652D+00
                21            22            23            24            25 
      1   0.325161D+00  0.467726D+01 -0.102862D+01 -0.125898D+00 -0.832538D+00
      2  -0.205652D+00 -0.102862D+01  0.234120D+01  0.923304D+00 -0.963835D+00
      3  -0.869291D+00 -0.125898D+00  0.923304D+00  0.191912D+01  0.455053D-01
                26            27            28            29            30 
      1  -0.963835D+00  0.455053D-01 -0.117395D+02  0.560196D+01 -0.271853D+00
      2   0.119135D+01  0.352141D+01  0.560196D+01 -0.587109D+01  0.245961D+00
      3   0.352141D+01 -0.213458D+01 -0.271853D+00  0.245961D+00 -0.173105D+01
                31            32            33            34            35 
      1   0.972467D+01  0.153231D+01 -0.727204D+00 -0.164595D+01 -0.973618D+00
      2   0.153231D+01  0.230465D+01 -0.196781D+00 -0.973618D+00 -0.687777D-01
      3  -0.727204D+00 -0.196781D+00  0.349722D+00 -0.305405D+01  0.178725D+01
                36            37            38            39            40 
      1  -0.305405D+01 -0.127540D+01 -0.429019D+01  0.502707D+00 -0.131559D+02
      2   0.178725D+01 -0.429019D+01 -0.659112D+01  0.380329D+00 -0.249868D+01
      3  -0.953449D+00  0.502707D+00  0.380329D+00 -0.133078D+01 -0.451568D+00
                41            42            43            44            45 
      1  -0.249868D+01 -0.451568D+00  0.275808D+01 -0.168738D+00 -0.200554D+01
      2  -0.543305D+01 -0.280487D+00 -0.168738D+00 -0.722291D+00 -0.284077D+01
      3  -0.280487D+00 -0.789398D+00 -0.200554D+01 -0.284077D+01  0.521271D+00
                46            47            48            49            50 
      1  -0.329647D+01  0.385922D+01 -0.310183D+00 -0.422492D+01  0.678956D+00
      2   0.385922D+01  0.260713D+01  0.348657D+00  0.678956D+00 -0.164680D+01
      3  -0.310183D+00  0.348657D+00 -0.430615D+00 -0.450586D-03 -0.829201D+00
                51            52            53            54            55 
      1  -0.450586D-03  0.558599D+00  0.507039D+00  0.136961D+01  0.169662D+01
      2  -0.829201D+00  0.507039D+00 -0.128221D+01 -0.344982D+01 -0.706255D+00
      3  -0.216573D+01  0.136961D+01 -0.344982D+01  0.204172D+01 -0.370592D+00
                56            57            58            59            60 
      1  -0.706255D+00 -0.370592D+00 -0.247851D+01  0.455469D+01  0.149676D+01
      2   0.312413D+01  0.176807D+01  0.455469D+01 -0.171080D+01  0.187655D+01
      3   0.176807D+01  0.201900D+01  0.149676D+01  0.187655D+01 -0.395227D+01
                61            62            63            64            65 
      1  -0.237069D+01  0.211352D+01  0.355557D+01  0.675269D+01 -0.257750D+01
      2   0.211352D+01  0.563464D+00 -0.508404D+01 -0.257750D+01 -0.179818D+01
      3   0.355557D+01 -0.508404D+01  0.118057D+01 -0.543060D-01 -0.103287D+01
                66            67            68            69            70 
      1  -0.543060D-01 -0.407505D+01 -0.980475D+00 -0.103167D+01 -0.432737D+00
      2  -0.103287D+01 -0.980475D+00  0.183975D+00 -0.151669D+01 -0.341487D+00
      3  -0.226125D+01 -0.103167D+01 -0.151669D+01  0.155065D+01  0.111140D-01
                71            72            73            74            75 
      1  -0.341487D+00  0.111140D-01 -0.608108D+01 -0.629502D+00  0.101014D+01
      2  -0.102494D+01  0.363369D+01 -0.629502D+00  0.112835D+01  0.937338D+00
      3   0.363369D+01  0.642868D+01  0.101014D+01  0.937338D+00  0.310558D+00
                76            77            78            79            80 
      1   0.736693D+00 -0.168333D+01  0.571090D+00  0.125128D+01 -0.431248D-01
      2  -0.168333D+01 -0.310394D+01  0.123877D+01 -0.431248D-01  0.136611D+01
      3   0.571090D+00  0.123877D+01  0.909872D-01 -0.127858D+01 -0.205558D+01
                81            82            83            84            85 
      1  -0.127858D+01  0.268536D+01 -0.116408D+00  0.361322D-01  0.144480D+01
      2  -0.205558D+01 -0.116408D+00 -0.105805D+01 -0.299830D+00  0.389169D+01
      3   0.154790D+00  0.361322D-01 -0.299830D+00 -0.744845D+00  0.445376D+00
                86            87            88            89            90 
      1   0.389169D+01  0.445376D+00  0.575896D+00  0.108014D+01  0.122033D+01
      2   0.846948D+01  0.725060D+00  0.108014D+01  0.220885D+01  0.649740D+01
      3   0.725060D+00  0.358889D+01  0.122033D+01  0.649740D+01  0.880862D+00
                91            92            93            94            95 
      1   0.776839D+01  0.439874D+01 -0.362750D+00  0.440089D+01  0.410361D+01
      2   0.439874D+01  0.312896D+01 -0.213144D+00  0.410361D+01  0.431773D+01
      3  -0.362750D+00 -0.213144D+00  0.636079D+00 -0.573296D+00 -0.472774D+00
                96            97            98            99           100 
      1  -0.573296D+00 -0.276449D+00 -0.424620D+00 -0.742274D-01  0.120434D+02
      2  -0.472774D+00 -0.424620D+00 -0.678186D+00 -0.183812D-01 -0.291292D+01
      3   0.566481D+00 -0.742274D-01 -0.183812D-01 -0.995982D-01  0.124735D+01
               101           102           103           104           105 
      1  -0.291292D+01  0.124735D+01 -0.292238D+01  0.229735D+01 -0.626713D+00
      2   0.139382D+01 -0.315252D+00  0.229735D+01 -0.132777D+01  0.321393D+00
      3  -0.315252D+00  0.901678D+00 -0.626713D+00  0.321393D+00 -0.347477D+00
               106           107           108           109           110 
      1   0.156790D+01 -0.646812D+00  0.229990D-01 -0.482938D+00  0.130057D+01
      2  -0.646812D+00  0.425625D+00 -0.603363D-01  0.130057D+01 -0.980631D+00
      3   0.229990D-01 -0.603363D-01  0.161271D+00 -0.225662D+00  0.284630D+00
               111           112           113           114           115 
      1  -0.225662D+00  0.107332D+01 -0.534671D+00  0.442582D-01 -0.218188D+00
      2   0.284630D+00 -0.534671D+00  0.946917D+01 -0.172244D+01  0.267771D+00
      3  -0.859135D-01  0.442582D-01 -0.172244D+01  0.110622D+01  0.448290D-01
               116           117           118           119           120 
      1   0.267771D+00  0.448290D-01  0.104905D+01 -0.166680D+01  0.352314D+00
      2  -0.191337D+01  0.420353D+00 -0.166680D+01  0.167888D+01 -0.329399D+00
      3   0.420353D+00 -0.223528D+00  0.352314D+00 -0.329399D+00  0.324906D+00
               121           122           123           124           125 
      1  -0.161315D+01  0.240177D+01 -0.463642D+00  0.240518D+00 -0.510381D+00
      2   0.240177D+01 -0.983643D+01  0.171750D+01 -0.510381D+00  0.194166D+01
      3  -0.463642D+00  0.171750D+01 -0.109496D+01  0.174567D+00 -0.419904D+00
               126           127           128           129           130 
      1   0.174567D+00 -0.226297D+00  0.873934D+00 -0.109501D+01  0.230314D+01
      2  -0.419904D+00  0.873934D+00 -0.520459D+00  0.793213D-01 -0.195910D+01
      3   0.204493D+00 -0.109501D+01  0.793213D-01 -0.653634D+00  0.471905D+00
               131           132           133           134           135 
      1  -0.195910D+01  0.471905D+00 -0.175553D+01  0.850913D+00 -0.159871D+01
      2   0.433408D+01 -0.242866D+01  0.850913D+00 -0.284138D+01  0.324474D+01
      3  -0.242866D+01  0.280809D+01 -0.159871D+01  0.324474D+01 -0.504040D+01
               136           137           138           139           140 
      1   0.592077D+01 -0.489135D+01  0.245162D+00 -0.247075D+01 -0.202277D+01
      2  -0.489135D+01 -0.102088D+01 -0.224585D+01 -0.202277D+01 -0.875503D+00
      3   0.245162D+00 -0.224585D+01 -0.143526D+01 -0.235346D+01 -0.114598D+01
               141           142           143           144           145 
      1  -0.235346D+01  0.450964D+01 -0.389317D+01 -0.220231D+01 -0.526836D+00
      2  -0.114598D+01 -0.389317D+01  0.659240D+00  0.385297D+01 -0.722311D-01
      3   0.353349D+01 -0.220231D+01  0.385297D+01 -0.681593D+00 -0.940546D+00
               146           147           148           149           150 
      1  -0.722311D-01 -0.940546D+00 -0.153260D+00 -0.182479D+00 -0.369223D+00
      2   0.561248D+00  0.308850D+00 -0.182479D+00 -0.143583D+01 -0.163662D+01
      3   0.308850D+00  0.120744D+01 -0.369223D+00 -0.163662D+01 -0.234256D+01
               151           152           153           154           155 
      1  -0.151022D+01 -0.313205D+00 -0.166754D+01 -0.120001D+02  0.141521D+01
      2  -0.313205D+00 -0.172689D+01 -0.198324D+01  0.141521D+01 -0.122891D+01
      3  -0.166754D+01 -0.198324D+01 -0.882267D+01 -0.112871D+01  0.112118D+00
               156           157           158           159           160 
      1  -0.112871D+01  0.245772D+01 -0.148255D+01  0.371430D+00  0.398247D+00
      2   0.112118D+00 -0.148255D+01  0.871180D+00  0.308851D-02  0.543494D-01
      3  -0.110601D+01  0.371430D+00  0.308851D-02  0.698698D-01 -0.125788D+01
               161           162           163           164           165 
      1   0.543494D-01 -0.125788D+01 -0.627469D+00 -0.999674D+00 -0.928185D+00
      2   0.260530D+00 -0.543879D-01 -0.999674D+00  0.247991D+00 -0.126541D+00
      3  -0.543879D-01 -0.558808D+00 -0.928185D+00 -0.126541D+00 -0.291167D+00
               166           167           168           169           170 
      1  -0.156160D+01 -0.172657D+01 -0.457990D+00 -0.262467D+01 -0.136050D+01
      2  -0.172657D+01 -0.734265D+01 -0.281761D+01 -0.136050D+01 -0.577422D+01
      3  -0.457990D+00 -0.281761D+01 -0.211542D+01 -0.877250D+00 -0.443803D+01
               171           172           173           174           175 
      1  -0.877250D+00  0.252531D-01 -0.457002D+00  0.829854D+00 -0.124805D+01
      2  -0.443803D+01 -0.457002D+00  0.676762D+00 -0.276492D+00 -0.137571D+01
      3  -0.413903D+01  0.829854D+00 -0.276492D+00  0.153688D+00  0.272433D+00
               176           177           178           179           180 
      1  -0.137571D+01  0.272433D+00  0.163877D+01  0.767199D+00 -0.625859D+00
      2  -0.621649D+01  0.270385D+01  0.767199D+00  0.437067D+01 -0.401284D+01
      3   0.270385D+01 -0.240057D+01 -0.625859D+00 -0.401284D+01  0.391880D+01
               181           182           183           184           185 
      1  -0.848930D+00  0.178829D-01  0.743124D+00 -0.937814D+00  0.165020D+00
      2   0.178829D-01  0.654705D-01  0.306706D+00  0.165020D+00 -0.161092D+01
      3   0.743124D+00  0.306706D+00 -0.563020D-01  0.889100D+00  0.101512D+01
               186           187           188           189           190 
      1   0.889100D+00  0.112191D+01  0.340426D+00 -0.985412D+00 -0.102810D+02
      2   0.101512D+01  0.340426D+00  0.154546D+01 -0.124549D+01  0.472008D+01
      3  -0.307902D+01 -0.985412D+00 -0.124549D+01  0.540395D+01  0.749153D+00
               191           192           193           194           195 
      1   0.472008D+01  0.749153D+00  0.369573D+01 -0.265784D+01 -0.649568D-01
      2  -0.318358D+01 -0.415981D+00 -0.265784D+01  0.279047D+01  0.380744D+00
      3  -0.415981D+00 -0.128763D+01 -0.649568D-01  0.380744D+00  0.282392D+00
               196           197           198           199           200 
      1  -0.161499D+01  0.916089D+00 -0.839648D+00  0.148791D+01  0.152548D+01
      2   0.916089D+00 -0.748860D+00  0.174730D+00  0.152548D+01  0.269128D+01
      3  -0.839648D+00  0.174730D+00 -0.176828D+00  0.427028D+00  0.137546D+01
               201           202           203           204           205 
      1   0.427028D+00  0.186224D+01  0.107771D+01  0.552422D+00  0.852718D-01
      2   0.137546D+01  0.107771D+01  0.546073D+01  0.194367D+01  0.658010D+00
      3   0.141001D+01  0.552422D+00  0.194367D+01  0.128268D+01  0.554651D+00
               206           207 
      1   0.658010D+00  0.554651D+00
      2   0.139833D+01  0.975791D+00
      3   0.975791D+00  0.135227D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.715029D+00 -0.970792D+00 -0.415432D+01 -0.171977D+01  0.912588D+00
      2  -0.149388D+01 -0.640738D+00  0.576961D+01  0.257989D+01  0.260969D+01
      3  -0.439176D+01 -0.132360D+02  0.139920D+01  0.726383D+01 -0.725736D+00
                 6             7             8             9            10 
      1  -0.251223D+00 -0.810384D+01  0.592485D+01 -0.189048D+01 -0.550409D+00
      2   0.699177D+01  0.209515D+01  0.111522D+02 -0.293322D+01  0.653762D+00
      3  -0.229577D+01 -0.195287D+01 -0.335131D+01 -0.421987D+01  0.390676D+01
                11            12            13            14            15 
      1  -0.136926D+00  0.229824D+01 -0.248291D+00  0.220592D+01  0.199472D+01
      2   0.651761D-01  0.869721D+01  0.382361D+01 -0.128416D+01 -0.365121D+01
      3  -0.112635D+02  0.413059D+00  0.110404D+02 -0.156445D+00  0.283764D+01
                16            17            18            19            20 
      1   0.518165D+01  0.105367D+02 -0.187350D+01  0.427906D+00  0.117402D+01
      2   0.863974D+01 -0.634384D+01  0.385532D+01  0.317535D+01 -0.347635D+01
      3  -0.273276D+01  0.211811D+01  0.188666D+01  0.550603D+01 -0.559694D+01
                21            22            23            24            25 
      1   0.317685D+01  0.130517D+00 -0.613592D+00 -0.353429D+01  0.246795D+01
      2  -0.212514D+01 -0.170129D+01 -0.358507D+00  0.361836D+01 -0.140589D+02
      3   0.265045D+01  0.453469D+01 -0.931927D+01 -0.241296D+00  0.298153D+01
                26            27            28            29            30 
      1   0.576131D+00  0.131809D+01 -0.719325D+00 -0.463573D+00  0.155623D+01
      2   0.500815D+01 -0.360246D+01 -0.128507D+01  0.252252D+01 -0.237662D+01
      3  -0.167813D+01 -0.734121D+01 -0.100412D+01  0.112585D+02 -0.119025D+01
                31            32            33            34            35 
      1  -0.683279D+00  0.207099D+01 -0.539469D+00  0.244028D+01  0.951456D+01
      2   0.218811D+01 -0.841185D+00  0.615139D-01 -0.149265D+02  0.129454D+01
      3   0.126090D+02 -0.107079D+02 -0.217670D+01  0.130415D+01  0.266229D+01
                36            37            38            39            40 
      1  -0.788544D+00  0.137065D+01 -0.583263D+00 -0.851958D+00 -0.155078D+01
      2  -0.110857D+01  0.113695D+01  0.770096D+00 -0.183872D+01 -0.292685D+01
      3  -0.211502D+01 -0.651923D+01  0.712030D+01 -0.286011D+01  0.115699D+02
                41            42            43            44            45 
      1   0.689490D-01 -0.598866D+00 -0.342679D+01  0.756406D+01 -0.847411D+00
      2   0.317700D+01 -0.682519D+00 -0.140610D+02 -0.615074D+00 -0.766289D+00
      3   0.167364D+02  0.116988D+01  0.312178D+00 -0.211125D+01  0.358770D+01
                46            47            48            49            50 
      1   0.533245D-01  0.466896D+00 -0.164767D+01  0.136073D+01 -0.671538D+00
      2  -0.102610D+01 -0.193123D+01 -0.123435D+01 -0.228738D+01 -0.201942D+01
      3  -0.118574D+01 -0.124791D+02  0.186127D+01 -0.321431D+00  0.628278D+01
                51            52            53            54            55 
      1  -0.334999D+01  0.171939D+01  0.124924D+01  0.677517D+00  0.719000D+00
      2  -0.569876D+01 -0.104600D+02 -0.900180D+01  0.337425D+01 -0.527228D+00
      3   0.938395D+00  0.127466D+01  0.929749D+00  0.699962D+01  0.319577D+01
                56            57            58            59            60 
      1  -0.335204D+01 -0.306435D+01 -0.208570D+01 -0.378045D+01  0.119915D+01
      2  -0.145367D+01  0.605848D+00 -0.353037D+01  0.297629D+00  0.662741D+01
      3  -0.887809D+00  0.199397D+01  0.126239D+02  0.637010D+01  0.672547D+01
                61            62            63            64            65 
      1  -0.705831D+01  0.948909D+01  0.259191D+00  0.295666D+01  0.192184D+01
      2  -0.115587D+02  0.983246D+01  0.129202D+00  0.835947D+01 -0.186851D+01
      3   0.316312D-01  0.679642D+01 -0.509463D+01 -0.112339D+02 -0.764185D+01
                66            67            68            69            70 
      1   0.155505D+01 -0.387363D+00  0.250784D+01  0.190722D+01  0.222332D+01
      2   0.640236D+01 -0.234532D+01  0.207902D+01 -0.625819D+01 -0.232073D+01
      3  -0.338689D+01 -0.560895D+01  0.268402D+01 -0.539766D+01  0.735170D+00
                71            72            73            74            75 
      1   0.169278D+01 -0.228221D+01  0.578603D+00  0.995071D+00  0.637667D+00
      2  -0.106359D+02 -0.166651D+02  0.154966D+01 -0.119371D+01  0.625612D+01
      3  -0.335584D+01  0.802576D+01  0.143047D+02 -0.654956D+01  0.108206D+01
                76            77            78            79            80 
      1  -0.905941D+00  0.197103D+01 -0.772328D+01 -0.446102D+01  0.176219D+01
      2   0.303022D-01 -0.413944D+01 -0.268543D+00 -0.329306D+01  0.562629D+01
      3   0.311150D+01 -0.613203D+01  0.533548D+01 -0.257762D+01  0.754984D+01
                81            82            83            84            85 
      1   0.394252D+01 -0.484408D-01  0.333639D+00 -0.377640D+01  0.134986D+01
      2  -0.127869D+01 -0.250895D+01  0.595444D+00 -0.212050D+01  0.600713D+00
      3  -0.260421D+01 -0.599444D+01  0.523096D+00 -0.974297D+00  0.852366D+01
                86            87            88            89            90 
      1   0.205041D+01  0.927669D+01  0.630820D+01  0.218595D+02  0.171237D+01
      2  -0.250282D+00 -0.628395D+00 -0.561613D+01 -0.496567D+01 -0.263550D+00
      3  -0.531259D+01 -0.755154D+00 -0.267853D+01 -0.283020D+01  0.353613D+01
                91            92            93            94            95 
      1  -0.215580D+00 -0.406437D+00 -0.228606D+01  0.325729D+00 -0.823560D-01
      2   0.445122D+00  0.267054D+00  0.401361D+01 -0.986771D+00 -0.828849D+00
      3  -0.261229D+01 -0.626341D+01  0.829643D-01 -0.509938D+01 -0.910121D+01
                96            97            98            99           100 
      1  -0.239193D+01  0.124648D+01  0.119646D+01  0.195389D+00  0.232787D+00
      2   0.315618D+01 -0.195553D+01 -0.109695D+01 -0.225568D+00  0.189277D+01
      3   0.703145D+00  0.947927D+00  0.133310D+01  0.923551D-01  0.257895D+01
               101           102           103           104           105 
      1   0.398835D+00  0.143011D+01 -0.794442D-01 -0.132883D+00 -0.899394D+00
      2  -0.500659D+00  0.591267D+01 -0.173992D+01  0.842058D+00 -0.205010D+01
      3  -0.595280D+01  0.320486D+00 -0.487445D+01  0.372667D+01 -0.709680D+00
               106           107           108           109           110 
      1  -0.813091D+00  0.590577D+00  0.189839D+00 -0.292499D+00  0.109979D+00
      2  -0.267019D+01  0.640922D+00  0.602877D+00 -0.718028D+00  0.694768D+00
      3   0.111518D+01 -0.121313D+01  0.133988D+00 -0.449006D+01  0.363523D+01
               111           112           113           114           115 
      1   0.643826D+00  0.377605D+00 -0.913835D+00 -0.459048D+01 -0.233373D+00
      2   0.144846D-01  0.101010D+01 -0.246851D+01  0.924923D+00 -0.145612D+01
      3  -0.629322D+00  0.632204D+01 -0.149675D+02  0.273486D+01 -0.132544D+01
               116           117           118           119           120 
      1   0.211148D+01  0.527288D+00  0.206671D-01 -0.159236D+00  0.103623D+01
      2   0.391814D+00 -0.910084D-02  0.441451D+00 -0.233586D+00  0.860601D+00
      3   0.316028D+01 -0.229987D+00  0.173892D+01 -0.838874D+00  0.172929D+00
               121           122           123           124           125 
      1  -0.295657D+00 -0.252807D+00 -0.465952D+01 -0.724996D-01  0.190235D+01
      2  -0.970003D-01  0.322200D+01 -0.256398D+01 -0.128826D+01 -0.194203D-01
      3   0.148558D+01  0.166161D+02 -0.283746D+01 -0.210861D+00 -0.333736D+01
               126           127           128           129           130 
      1   0.661925D+00  0.908338D+00  0.410434D+00  0.926205D+00 -0.164810D+00
      2   0.288063D+00  0.150369D+01  0.400993D-01  0.122316D+01  0.971662D+00
      3   0.386385D-01  0.220373D+01 -0.211418D+01 -0.134524D+01  0.186331D+01
               131           132           133           134           135 
      1  -0.150019D+00 -0.392112D+01  0.206258D+01  0.151143D-03  0.484560D+01
      2   0.256392D+01 -0.418367D+01 -0.692799D+00 -0.426198D+01  0.656084D+01
      3   0.515877D+01 -0.391937D+01 -0.212455D+01 -0.510523D+01  0.444429D+01
               136           137           138           139           140 
      1  -0.632275D+01  0.251970D+01  0.740059D+00  0.542393D+01 -0.687886D+00
      2  -0.714333D+01  0.111117D+02  0.583536D+01  0.101916D+02  0.294978D+01
      3   0.184125D+01 -0.165273D+02 -0.461659D+01 -0.976385D+01 -0.751730D+01
               141           142           143           144           145 
      1  -0.130727D+02  0.950102D+00 -0.813748D+01  0.522077D+01  0.551505D-01
      2  -0.473238D+01  0.273522D+01 -0.560313D+01  0.288668D+01  0.247529D+01
      3  -0.861152D+01 -0.221033D+01 -0.937088D+01  0.460791D+01  0.668973D+00
               146           147           148           149           150 
      1  -0.167256D+01  0.146026D+00 -0.252131D+00  0.256257D+01  0.782010D-01
      2  -0.401965D+00 -0.300247D+01 -0.681594D+00  0.358915D+01  0.496602D+01
      3   0.180589D+01  0.575101D+00  0.270110D+01 -0.371503D+01 -0.347593D+01
               151           152           153           154           155 
      1   0.490910D-01  0.524371D+01  0.585372D+00 -0.107060D+01  0.144168D+01
      2  -0.137373D+01  0.440399D+01  0.197400D+02 -0.760579D+01  0.859361D+00
      3   0.551463D+00 -0.498368D+01 -0.326495D+01  0.463508D+01 -0.755086D+01
               156           157           158           159           160 
      1   0.231880D+00  0.121916D+01 -0.107914D+01 -0.907127D+00 -0.374583D+00
      2   0.524712D+01  0.126037D+01 -0.109927D+01 -0.422154D+00  0.249162D+01
      3   0.482172D+00 -0.291696D+01  0.338182D+01  0.507222D+00  0.604171D+00
               161           162           163           164           165 
      1   0.456516D+00  0.430438D+00 -0.262249D+01  0.427673D-01 -0.665172D+00
      2   0.379431D+00  0.298999D+00 -0.418993D+00 -0.265015D+00  0.157026D+01
      3   0.140687D+01 -0.165764D+00  0.209920D+01  0.121863D+01  0.283548D+01
               166           167           168           169           170 
      1  -0.163619D+01 -0.556282D+01 -0.737563D+01 -0.264274D+01 -0.910345D+01
      2  -0.217723D+00  0.117886D+01  0.132753D+01 -0.468100D+00  0.238713D+01
      3   0.364098D+01 -0.267431D+01 -0.133951D+01  0.748176D+01 -0.878792D+00
               171           172           173           174           175 
      1  -0.109091D+02  0.177081D+01 -0.211576D+00  0.479740D+00  0.104099D+01
      2   0.187334D+01 -0.366426D-01  0.329685D+00  0.485876D+00  0.655899D+00
      3  -0.217060D+01 -0.619732D+00 -0.125811D+01 -0.222744D+01  0.294912D+01
               176           177           178           179           180 
      1   0.464833D+01 -0.695195D+01 -0.188342D+01 -0.738684D+01  0.965539D+01
      2  -0.232233D+01  0.191262D+01 -0.141512D+01  0.270439D+01 -0.291452D+01
      3  -0.231554D+01  0.235842D+01 -0.474838D+01  0.292265D+01 -0.308991D+01
               181           182           183           184           185 
      1  -0.138327D+01 -0.317324D+00  0.684910D+00 -0.126282D+01 -0.664581D+01
      2  -0.586895D+00 -0.486251D+00  0.259841D-01  0.224276D+00 -0.230146D+01
      3  -0.128669D+01 -0.312081D+00  0.172134D+01 -0.174309D+00 -0.416228D+01
               186           187           188           189           190 
      1   0.636121D+01  0.196199D+01  0.713661D+01 -0.118204D+02  0.204195D+01
      2   0.561234D+01 -0.183198D+01  0.266618D+01 -0.965558D+01  0.710821D+01
      3   0.365886D+01  0.245650D+01  0.445003D+01 -0.473172D+01 -0.121435D+02
               191           192           193           194           195 
      1  -0.210815D+01  0.369391D+01 -0.185464D+01  0.161001D+01 -0.125075D+01
      2  -0.277138D+01  0.548350D+01 -0.307121D+01  0.975145D+00 -0.166323D+01
      3  -0.552806D+00  0.299610D+00  0.369415D+01  0.164284D+01  0.811988D+00
               196           197           198           199           200 
      1   0.183559D+01  0.407616D+00  0.466830D+00  0.137449D+01  0.567027D+00
      2   0.111465D+01 -0.355116D+00  0.115876D+01 -0.406636D+01 -0.393468D+01
      3  -0.877507D+00  0.429153D+00 -0.171251D+01  0.100082D+02  0.801581D+01
               201           202           203           204           205 
      1  -0.279100D+01  0.573863D+00  0.186635D+01 -0.260127D+01 -0.583030D+00
      2  -0.190411D+01 -0.395112D+01 -0.557083D+01 -0.239555D+01 -0.234907D+01
      3   0.323979D+01  0.954566D+01  0.130006D+02  0.530012D+01  0.164253D+01
               206           207 
      1   0.861010D+00 -0.217666D+01
      2  -0.238170D+01 -0.266715D+01
      3   0.445731D+01  0.338732D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.112074D+01 -0.187294D+02  0.290731D+01  0.332243D+02  0.141355D+00
      2  -0.276093D+01  0.129379D+02  0.182995D+01 -0.312896D+02 -0.377734D+01
      3   0.388167D+01  0.579147D+01 -0.473726D+01 -0.193473D+01  0.363599D+01
      4  -0.169492D+02  0.174426D+02 -0.432716D+01 -0.726551D+00 -0.170692D+02
      5  -0.250757D+01 -0.264605D+01  0.126422D+02  0.719903D+01  0.691979D+01
      6  -0.244404D+01 -0.164347D+01  0.947181D+01  0.721234D+01  0.304386D+01
                 6             7             8             9            10 
      1   0.146694D+01 -0.920774D+01 -0.168696D+01  0.106396D+02 -0.288281D+01
      2  -0.296963D+01  0.103957D+02  0.426471D+01 -0.144792D+02  0.530328D+00
      3   0.150269D+01 -0.118797D+01 -0.257775D+01  0.383959D+01  0.235248D+01
      4   0.101634D+02  0.286313D+01  0.925499D+01  0.147005D+02  0.816345D+01
      5   0.149354D+02  0.302218D+02  0.163270D+02 -0.692619D+01 -0.603975D+01
      6   0.151042D+01  0.901206D+01  0.110106D+02  0.228358D+01 -0.225473D+00
                11            12            13            14            15 
      1   0.614691D+01 -0.628620D+01 -0.236098D+02 -0.199971D+02  0.617103D+01
      2  -0.299316D+01  0.169428D+01  0.213299D+02  0.194662D+02 -0.762838D+01
      3  -0.315376D+01  0.459192D+01  0.227987D+01  0.530925D+00  0.145734D+01
      4   0.249507D+02  0.334231D+00 -0.204361D+02  0.156036D+02 -0.828961D+01
      5   0.146330D+01  0.187997D+02  0.109586D+02 -0.442829D+01 -0.818735D+01
      6  -0.353795D+00 -0.511982D+01 -0.596858D+01 -0.252542D+01 -0.397391D+01
                16            17            18            19            20 
      1  -0.309649D+01  0.749177D+01  0.166989D+02  0.112104D+02 -0.102940D+01
      2  -0.238552D+01 -0.479065D+01 -0.201437D+02 -0.773793D+01 -0.221488D+01
      3   0.548201D+01 -0.270112D+01  0.344481D+01 -0.347250D+01  0.324429D+01
      4   0.123265D+02 -0.492869D+01 -0.548679D+01  0.580051D+01 -0.269677D+02
      5   0.375658D+02 -0.853899D+01  0.768087D+01  0.370846D+01  0.206569D+01
      6  -0.387698D+01  0.637203D+01  0.271372D+01  0.214458D+01 -0.118021D+01
                21            22            23            24            25 
      1   0.126872D+01  0.830810D+01  0.886788D+01 -0.476617D+01  0.868360D+00
      2  -0.232624D+01 -0.140732D+01 -0.153156D+02  0.752566D+01 -0.154889D+01
      3   0.105752D+01 -0.690078D+01  0.644773D+01 -0.275949D+01  0.680530D+00
      4   0.366525D+01  0.182830D+02  0.102002D+02  0.666041D+00 -0.178015D+01
      5  -0.612678D+01 -0.152543D+01  0.262924D+00  0.563679D+01  0.304488D+01
      6  -0.588652D+01 -0.175174D+01  0.104815D+02  0.633437D+01  0.927218D+00
                26            27            28            29            30 
      1  -0.408557D+01 -0.139784D+02 -0.333669D+02  0.137741D+02 -0.206812D+01
      2   0.963421D+01  0.251274D+00  0.197519D+02 -0.696020D+01 -0.286854D+00
      3  -0.554863D+01  0.137271D+02  0.136150D+02 -0.681390D+01  0.235497D+01
      4  -0.255200D+01  0.118717D+02 -0.108491D+02  0.924370D+01 -0.311313D+00
      5   0.109979D+02 -0.781107D+01 -0.315175D+01  0.120643D+01 -0.323420D+01
      6   0.141319D+02 -0.516437D+01  0.235494D+01  0.134823D+00 -0.200703D+01
                31            32            33            34            35 
      1   0.144639D+02 -0.150361D+01  0.715764D+00 -0.690146D+01  0.245127D+01
      2  -0.577099D+01  0.515421D+01 -0.299658D+01 -0.912071D+00 -0.112252D+01
      3  -0.869292D+01 -0.365060D+01  0.228082D+01  0.781353D+01 -0.132875D+01
      4  -0.313339D+01  0.633679D+01 -0.127874D+01  0.449826D+01 -0.243922D+01
      5   0.240697D+01 -0.855541D+00 -0.491671D+00  0.155211D+01  0.160585D+00
      6  -0.640047D+01 -0.226947D+01  0.237589D+01 -0.114424D+01  0.763531D+01
                36            37            38            39            40 
      1  -0.115559D+02 -0.164125D+02 -0.276970D+02  0.279964D+01 -0.182818D+02
      2  -0.445463D-01  0.139346D+02  0.201266D+02  0.557156D+00  0.701234D+01
      3   0.116004D+02  0.247793D+01  0.757034D+01 -0.335679D+01  0.112694D+02
      4  -0.264926D+01 -0.502303D+01  0.960386D-01 -0.937733D+00 -0.168616D+00
      5  -0.119824D+01  0.261885D+01  0.111781D+01 -0.168446D+01  0.409341D+00
      6   0.601815D+00 -0.279161D+01 -0.271308D+00  0.102847D+01  0.808283D+01
                41            42            43            44            45 
      1  -0.106877D+02 -0.352092D+00  0.151960D+01 -0.241276D+01 -0.148893D+02
      2   0.113912D+02 -0.738884D+00  0.247565D+01  0.253067D+01  0.423720D+01
      3  -0.703501D+00  0.109098D+01 -0.399526D+01 -0.117908D+00  0.106521D+02
      4  -0.664049D+01  0.264731D+01  0.765827D+00  0.188180D+01 -0.170423D+01
      5   0.305519D+01 -0.477150D+00  0.187880D+01 -0.274633D+01 -0.204630D+00
      6  -0.972050D-01  0.122882D+01 -0.624473D+00  0.110610D+02  0.163593D+01
                46            47            48            49            50 
      1   0.110774D+02  0.190128D+02 -0.135054D+00 -0.206907D+02  0.134091D+02
      2  -0.113019D+02 -0.133566D+02  0.101320D+01  0.170831D+02 -0.201772D+02
      3   0.224519D+00 -0.565622D+01 -0.878142D+00  0.360765D+01  0.676804D+01
      4   0.718512D+01 -0.199246D+02  0.444361D+01  0.136055D+02 -0.444799D+01
      5  -0.326525D+01  0.212616D+01 -0.489705D+01 -0.664824D+00 -0.435947D+01
      6   0.471044D+01 -0.984366D+00  0.235756D+01 -0.257881D+01  0.104300D+02
                51            52            53            54            55 
      1  -0.388084D+01  0.380713D+01 -0.192508D+01 -0.693921D+01  0.205074D+02
      2   0.707533D+01 -0.464948D+01  0.879326D+01 -0.407876D+01 -0.101628D+02
      3  -0.319448D+01  0.842352D+00 -0.686818D+01  0.110180D+02 -0.103446D+02
      4  -0.397231D+01  0.114076D+01 -0.755784D+01 -0.151863D+02 -0.371814D+01
      5  -0.107959D+02  0.834623D+01 -0.155061D+02  0.662423D+01  0.210353D+01
      6   0.672890D+01 -0.493059D+01  0.133651D+02 -0.300888D+01 -0.365407D+01
                56            57            58            59            60 
      1  -0.145300D+02 -0.428575D+01 -0.191722D+02  0.395535D+01 -0.848352D+01
      2   0.112873D+02  0.460328D+01  0.125787D+02  0.139402D+01  0.698926D+01
      3   0.324264D+01 -0.317527D+00  0.659349D+01 -0.534937D+01  0.149425D+01
      4  -0.758959D+01 -0.463134D+01 -0.143468D+02  0.790940D+01 -0.487410D+01
      5  -0.655887D+01 -0.695976D+01 -0.900501D+01 -0.648914D+01  0.137183D+02
      6   0.426844D+01  0.462962D+01  0.776111D+00  0.689236D+01 -0.167698D+02
                61            62            63            64            65 
      1  -0.840824D+00 -0.736059D+01  0.110667D+02 -0.474372D+02  0.144366D+02
      2   0.474053D+01  0.553549D+00 -0.100484D+02  0.241669D+02 -0.986848D+01
      3  -0.389971D+01  0.680705D+01 -0.101831D+01  0.232703D+02 -0.456808D+01
      4  -0.124237D+02  0.298934D+01  0.204291D+02  0.156050D+02  0.377655D+01
      5  -0.158534D+02  0.192258D+02 -0.173833D+01 -0.700776D+01  0.637019D+01
      6   0.164163D+02 -0.230393D+02  0.898576D+01  0.273036D+01  0.141653D+01
                66            67            68            69            70 
      1  -0.492414D+01  0.196282D+02  0.846397D+01  0.854748D+01  0.162840D+01
      2  -0.208433D+01 -0.117869D+02 -0.116920D+02  0.276664D+00  0.124017D+01
      3   0.700847D+01 -0.784125D+01  0.322807D+01 -0.882414D+01 -0.286858D+01
      4   0.423648D+01 -0.109008D+01  0.222371D+00  0.686890D+01  0.544340D+01
      5   0.724898D+01  0.101301D+02  0.846351D+01 -0.477538D+01 -0.155670D+01
      6   0.704258D+00  0.247387D+01 -0.518301D+00 -0.458769D+01 -0.275640D+01
                71            72            73            74            75 
      1   0.302528D+01  0.149068D+02  0.312882D+02  0.883629D+01  0.667666D+00
      2   0.939874D+01  0.145171D+02 -0.177551D+02 -0.612514D+01 -0.145915D+01
      3  -0.124240D+02 -0.294240D+02 -0.135331D+02 -0.271115D+01  0.791484D+00
      4   0.384354D+00 -0.138263D+02  0.134956D+02  0.115945D+02 -0.499078D+01
      5  -0.135635D+02 -0.257326D+02 -0.537819D+01 -0.316790D+01  0.101670D+02
      6  -0.159079D+01 -0.111545D+02 -0.983075D+00 -0.716164D+01 -0.442626D+01
                76            77            78            79            80 
      1  -0.770853D+01 -0.682455D+01  0.621898D+00 -0.659695D+01 -0.536454D+00
      2   0.892310D+01  0.153427D+02  0.149732D+01  0.457437D+01 -0.389189D+01
      3  -0.121457D+01 -0.851819D+01 -0.211922D+01  0.202258D+01  0.442835D+01
      4   0.123838D+02  0.105893D+02 -0.664266D+01 -0.601230D+01 -0.642200D+01
      5  -0.455805D+01 -0.614411D+01 -0.242788D+01  0.104933D+02  0.765642D+01
      6  -0.601639D+00 -0.241066D+01  0.106533D+02  0.375191D+01  0.102912D+02
                81            82            83            84            85 
      1  -0.727846D+01 -0.134726D+02 -0.414246D+01 -0.601191D+00  0.205332D+02
      2  -0.410638D+01  0.108554D+02  0.652062D+01  0.226501D+01 -0.180547D+02
      3   0.113848D+02  0.261718D+01 -0.237816D+01 -0.166382D+01 -0.247853D+01
      4   0.930383D+01  0.882649D+00 -0.208850D+01  0.207278D+01 -0.715808D+00
      5  -0.302993D+01 -0.148789D+01  0.956705D+00 -0.732078D+01 -0.233508D+01
      6  -0.216569D+01 -0.608100D+00  0.128358D+01  0.887778D+01 -0.345098D+01
                86            87            88            89            90 
      1   0.393421D+02  0.182500D+01  0.560686D+01  0.660318D+01  0.309118D+02
      2  -0.368758D+02 -0.239189D+01 -0.594788D+01 -0.922564D+01 -0.295864D+02
      3  -0.246624D+01  0.566898D+00  0.341013D+00  0.262245D+01 -0.132538D+01
      4  -0.633319D+01 -0.246176D+01 -0.303290D+01 -0.413285D+01 -0.826986D+01
      5  -0.333352D+01 -0.406282D+01 -0.280626D+01 -0.101081D+02 -0.137909D+01
      6  -0.460827D+01 -0.265849D+02 -0.794801D+01 -0.434595D+02 -0.427977D+01
                91            92            93            94            95 
      1   0.479240D+02  0.234618D+02 -0.218834D+01  0.201269D+02  0.141156D+02
      2  -0.187286D+02 -0.603755D+01  0.103925D+01 -0.162200D+01  0.353439D+01
      3  -0.291954D+02 -0.174243D+02  0.114910D+01 -0.185049D+02 -0.176500D+02
      4   0.447002D+02  0.318312D+02 -0.212303D+01  0.374201D+02  0.361963D+02
      5  -0.508719D+01 -0.258541D+01  0.727477D+01 -0.532412D+01 -0.452731D+01
      6  -0.803591D+00 -0.677344D+00  0.297121D+01 -0.232541D+01 -0.202862D+01
                96            97            98            99           100 
      1  -0.189245D+01 -0.571096D+00 -0.582123D+00  0.198918D+00  0.925185D+02
      2   0.960061D+00 -0.902609D+00 -0.997102D+00  0.633548D+00 -0.508385D+02
      3   0.932386D+00  0.147371D+01  0.157923D+01 -0.832466D+00 -0.416801D+02
      4  -0.374193D+01 -0.389874D+01 -0.388680D+01  0.180074D+01 -0.313172D+02
      5   0.496193D+01  0.117990D+01  0.653468D+00 -0.546705D+00  0.119042D+02
      6   0.421673D+01  0.655856D+00  0.134438D+01 -0.967802D+00 -0.524696D+00
               101           102           103           104           105 
      1  -0.208352D+02  0.830501D+01 -0.193307D+02  0.131373D+02 -0.316962D+01
      2   0.102029D+02 -0.549275D+01  0.828232D+01 -0.515120D+01  0.218184D+01
      3   0.106323D+02 -0.281226D+01  0.110484D+02 -0.798613D+01  0.987777D+00
      4   0.157737D+02 -0.296937D+01  0.221776D+02 -0.121161D+02  0.273503D+01
      5  -0.276331D+01  0.103933D+02 -0.535057D+01  0.282952D+01 -0.317989D+01
      6   0.694254D+00 -0.166860D+01  0.151839D+01 -0.704738D+00  0.233729D+01
               106           107           108           109           110 
      1   0.103690D+02 -0.334857D+01  0.217422D+01 -0.385659D+01  0.649692D+01
      2  -0.543051D+01  0.150278D+01 -0.112817D+01  0.528849D+01 -0.602540D+01
      3  -0.493850D+01  0.184579D+01 -0.104605D+01 -0.143190D+01 -0.471525D+00
      4  -0.633913D+01  0.313684D+01 -0.178530D+01  0.867492D+00  0.669264D+01
      5   0.222779D+01 -0.625247D+00  0.194610D+01 -0.327453D+00 -0.615781D+00
      6  -0.454547D+00  0.940583D+00 -0.812835D+00 -0.150607D+01  0.206634D+01
               111           112           113           114           115 
      1  -0.177367D+01  0.362882D+01 -0.366102D+02  0.710947D+01 -0.114255D+01
      2   0.118413D+01 -0.294569D+01  0.508989D+02 -0.723851D+01  0.124345D+01
      3   0.589536D+00 -0.683133D+00 -0.142887D+02  0.129043D+00 -0.100899D+00
      4  -0.771930D+00  0.549883D+01  0.184535D+02 -0.383856D+01 -0.928577D+00
      5   0.140190D+01 -0.801590D+00 -0.453114D+01  0.210836D+01  0.627481D+00
      6  -0.945479D+00  0.282897D+00 -0.134158D+02  0.906710D+01 -0.173739D+00
               116           117           118           119           120 
      1   0.731635D+01 -0.299531D+01  0.149533D+01 -0.303471D+01  0.545846D+00
      2  -0.913414D+01  0.342443D+01  0.323681D+01 -0.268462D+01  0.952872D-01
      3   0.181779D+01 -0.429117D+00 -0.473214D+01  0.571933D+01 -0.641133D+00
      4  -0.302362D+01 -0.225687D+00 -0.105275D+02  0.152290D+02 -0.272868D+01
      5   0.440622D+00 -0.693045D-02  0.178540D+01 -0.246772D+01  0.285534D+01
      6   0.499459D+01 -0.286522D+01 -0.175848D+01  0.180502D+01 -0.174975D+01
               121           122           123           124           125 
      1   0.123438D+01 -0.241611D+02  0.419105D+01  0.187754D+00  0.435320D+01
      2  -0.805871D+01  0.438464D+02 -0.526265D+01  0.847753D+00 -0.737373D+01
      3   0.682433D+01 -0.196853D+02  0.107160D+01 -0.103551D+01  0.302054D+01
      4   0.170374D+02 -0.419696D+02  0.733352D+01 -0.350575D+01  0.864513D+01
      5  -0.281583D+01  0.660073D+01 -0.463118D+01  0.120032D+01 -0.159661D+01
      6   0.284197D+01 -0.110196D+02  0.865622D+01 -0.118737D+01  0.483397D+01
               126           127           128           129           130 
      1  -0.253471D+01  0.712292D+00 -0.125726D+01  0.262551D+01  0.391656D+01
      2   0.332322D+01 -0.581662D+00  0.186390D+00 -0.195787D+01 -0.402795D+01
      3  -0.788511D+00 -0.130630D+00  0.107087D+01 -0.667639D+00  0.111392D+00
      4  -0.183828D+01 -0.397500D+01  0.688818D+01 -0.345320D+01  0.102289D+02
      5   0.119471D+01  0.455750D+01 -0.260578D+01  0.726977D+01 -0.311211D+01
      6  -0.280483D+01 -0.528297D+01  0.941763D+00 -0.186747D+01  0.396615D+01
               131           132           133           134           135 
      1  -0.138278D+02  0.893062D+01 -0.469405D+00  0.106633D+02 -0.151898D+02
      2   0.141002D+02 -0.724959D+01 -0.829866D+00 -0.515669D+01  0.288298D+00
      3  -0.272480D+00 -0.168104D+01  0.129927D+01 -0.550662D+01  0.149015D+02
      4  -0.143722D+02  0.698136D+01 -0.540883D+01  0.885324D+01 -0.100009D+02
      5   0.734154D+01 -0.914591D+01  0.100002D+02 -0.103274D+02  0.153807D+02
      6  -0.157911D+02  0.170775D+02 -0.741402D+01  0.181533D+02 -0.224916D+02
               136           137           138           139           140 
      1  -0.207461D+02  0.304169D+02  0.729852D+01  0.293420D+02  0.662525D+01
      2  -0.790046D+01 -0.176068D+02 -0.914254D+01 -0.152773D+02 -0.864672D+01
      3   0.286466D+02 -0.128101D+02  0.184401D+01 -0.140647D+02  0.202147D+01
      4   0.385971D+02 -0.163004D+02  0.554475D+01 -0.825021D+01 -0.322425D+01
      5   0.398537D+01  0.380577D+00  0.562167D+01  0.312956D+01  0.245722D+00
      6  -0.269746D+01 -0.110069D+02 -0.686666D+01 -0.101063D+02 -0.578450D+01
               141           142           143           144           145 
      1   0.279456D+01  0.538572D+01  0.311153D+01 -0.292266D+01  0.290909D+01
      2  -0.177321D+02 -0.876106D+01 -0.123799D+02  0.142837D+02 -0.388716D+01
      3   0.149375D+02  0.337534D+01  0.926833D+01 -0.113610D+02  0.978067D+00
      4  -0.798151D+00  0.177308D+02 -0.801946D+01 -0.192048D+02  0.150975D+00
      5  -0.164425D+02  0.109990D+02 -0.190957D+02  0.872236D+00  0.368183D+01
      6   0.727268D+01 -0.143199D+02  0.119184D+02  0.636078D+01  0.125176D+01
               146           147           148           149           150 
      1   0.763748D+00  0.748328D+01  0.512324D+00 -0.635530D+01 -0.614060D+01
      2   0.324501D+00  0.199466D+00 -0.135182D+01  0.152848D+01 -0.214378D+01
      3  -0.108825D+01 -0.768274D+01  0.839495D+00  0.482683D+01  0.828438D+01
      4  -0.992858D+00  0.567990D+00  0.334504D+01  0.598872D+01  0.675918D+01
      5   0.555477D-01  0.596289D+00  0.338539D+01  0.593143D+01  0.940748D+01
      6  -0.871544D+00 -0.146691D+01  0.137721D+01  0.673326D+01  0.115552D+02
               151           152           153           154           155 
      1   0.448631D+01 -0.425547D+01 -0.173219D+02  0.776479D+02 -0.884350D+01
      2  -0.751799D+01 -0.279361D+01 -0.223741D+02 -0.437528D+02  0.485812D+01
      3   0.303168D+01  0.704908D+01  0.396961D+02 -0.338951D+02  0.398537D+01
      4   0.274449D+01  0.786065D+01  0.867232D+01 -0.856823D+01  0.107105D+02
      5   0.131340D+02  0.799982D+01  0.355011D+02  0.174732D+02 -0.218260D+01
      6   0.233613D+01  0.764342D+01  0.126322D+02 -0.137419D+01  0.139659D+01
               156           157           158           159           160 
      1   0.599541D+01 -0.143887D+02  0.766450D+01 -0.229441D+01 -0.216877D+01
      2  -0.548409D+01  0.805866D+01 -0.277944D+01  0.992549D+00 -0.361763D+00
      3  -0.511327D+00  0.633007D+01 -0.488506D+01  0.130186D+01  0.253053D+01
      4  -0.645331D+00  0.128086D+02 -0.573813D+01  0.498144D+00 -0.494560D+00
      5   0.109953D+02 -0.463590D+01  0.124018D+01 -0.180732D+01  0.106882D+02
      6  -0.463370D+00  0.224730D+01 -0.122322D+01  0.226990D+01 -0.835889D+00
               161           162           163           164           165 
      1  -0.245889D+00  0.550476D+01 -0.424674D+00  0.246102D+01  0.812037D+00
      2  -0.814297D+00 -0.548966D+01  0.149823D+01 -0.225238D+01 -0.131726D+01
      3   0.106019D+01 -0.151012D-01 -0.107356D+01 -0.208644D+00  0.505228D+00
      4  -0.934837D+00 -0.331850D+00  0.295297D+01  0.772855D+01  0.454845D+01
      5  -0.664855D+00  0.313113D+01  0.187292D+01  0.300047D+01  0.543285D+01
      6   0.132217D+01  0.313614D+00  0.634993D+01  0.790852D+00  0.133697D+01
               166           167           168           169           170 
      1  -0.433717D+01 -0.312983D+02 -0.114282D+02 -0.248688D+01 -0.250993D+02
      2   0.607477D+01  0.396681D+02  0.136864D+02  0.327813D+01  0.267332D+02
      3  -0.173760D+01 -0.836978D+01 -0.225815D+01 -0.791258D+00 -0.163389D+01
      4   0.693817D+01  0.106238D+02  0.399356D+01  0.840448D+01  0.829250D+01
      5   0.257037D+01  0.422698D+01  0.345515D+01  0.542557D+01  0.737809D+01
      6   0.348861D+01  0.214546D+02  0.173148D+02  0.665031D+01  0.314750D+02
               171           172           173           174           175 
      1  -0.215140D+02  0.267719D+00  0.355843D+01 -0.298552D+01 -0.423158D+01
      2   0.162339D+02  0.149926D+00 -0.374455D+01  0.191784D+01  0.507212D+01
      3   0.528013D+01 -0.417645D+00  0.186124D+00  0.106768D+01 -0.840536D+00
      4   0.611721D+01  0.800836D+00  0.652668D+01 -0.424356D+01  0.551862D+01
      5   0.609014D+01 -0.107856D+01 -0.244973D+01  0.372244D+01 -0.160067D+01
      6   0.254849D+02 -0.518355D+01  0.216462D+01 -0.124232D+01 -0.216711D+01
               176           177           178           179           180 
      1  -0.269254D+02  0.121773D+02  0.108687D+01  0.199827D+02 -0.206537D+02
      2   0.327184D+02 -0.134817D+02 -0.138707D+01 -0.198183D+02  0.141942D+02
      3  -0.579294D+01  0.130444D+01  0.300198D+00 -0.164379D+00  0.645948D+01
      4   0.774082D+01 -0.299338D+01 -0.598657D+01 -0.536444D+01  0.474530D+01
      5  -0.384365D+01  0.370112D+01  0.400052D+01  0.635071D+01 -0.537187D+01
      6  -0.194659D+02  0.176754D+02  0.502822D+01  0.269526D+02 -0.231019D+02
               181           182           183           184           185 
      1   0.362443D+01 -0.168747D+01 -0.397768D+01  0.113831D+01 -0.745532D+00
      2  -0.322579D+01  0.426365D+00  0.367083D+01 -0.255801D+01 -0.519402D+01
      3  -0.398637D+00  0.126110D+01  0.306849D+00  0.141970D+01  0.593956D+01
      4  -0.262647D+01  0.232452D+01  0.249176D+00 -0.219176D+00  0.741932D+01
      5  -0.450125D+01 -0.153959D+01  0.449495D+01 -0.590955D+01 -0.354841D+01
      6   0.677308D+00  0.114171D+01  0.564267D+00  0.153200D+01 -0.250130D+01
               186           187           188           189           190 
      1   0.204514D+01 -0.403700D+01 -0.905016D+00 -0.778104D+01  0.443327D+02
      2   0.118745D+02  0.614045D+01  0.999993D+01 -0.196488D+02 -0.961269D+01
      3  -0.139196D+02 -0.210346D+01 -0.909491D+01  0.274298D+02 -0.347200D+02
      4  -0.355299D+01  0.119069D+01 -0.573210D+01  0.541218D+01 -0.511095D+02
      5   0.121025D+02  0.867265D+01  0.499755D+01 -0.203841D+02 -0.140293D+02
      6  -0.208694D+01 -0.136260D+01  0.284423D+01  0.738538D+01  0.552515D+01
               191           192           193           194           195 
      1  -0.137201D+02  0.620140D-01 -0.106948D+02  0.284913D+01 -0.900603D+00
      2  -0.416183D+01  0.202882D+01 -0.399780D+01  0.922646D+01  0.116865D+01
      3   0.178819D+02 -0.209084D+01  0.146925D+02 -0.120756D+02 -0.268050D+00
      4   0.317258D+02  0.290904D+01  0.259861D+02 -0.213964D+02 -0.134172D+01
      5   0.644494D+01  0.998665D+01  0.459120D+01 -0.336552D+01 -0.263057D+01
      6  -0.424909D+01 -0.658328D+01 -0.221463D+01  0.386587D+01  0.366976D+01
               196           197           198           199           200 
      1   0.450820D+01 -0.121162D+01  0.358540D+01 -0.658465D+01 -0.170691D+02
      2   0.126731D+01 -0.118310D+01 -0.255003D+01  0.922837D+01  0.187659D+02
      3  -0.577551D+01  0.239472D+01 -0.103537D+01 -0.264372D+01 -0.169678D+01
      4  -0.702761D+01  0.462729D+01 -0.370549D+01  0.305384D+01  0.220660D+01
      5   0.675264D+01 -0.177972D+01  0.332315D+00  0.281844D+01  0.589940D+00
      6  -0.427493D+01  0.262006D+01 -0.120813D+01  0.409289D+01  0.102952D+02
               201           202           203           204           205 
      1  -0.801497D+01 -0.120061D+02 -0.268869D+02 -0.107510D+02 -0.370023D+01
      2   0.568741D+01  0.105238D+02  0.358433D+02  0.105321D+02  0.266602D+01
      3   0.232755D+01  0.148233D+01 -0.895643D+01  0.218913D+00  0.103421D+01
      4  -0.243315D+00  0.726310D+01 -0.638409D+01 -0.221277D+01 -0.269566D+00
      5  -0.108026D+01  0.285814D+01 -0.169142D+01 -0.971513D+00  0.161298D+01
      6   0.835155D+01  0.441377D+01  0.176577D+02  0.116589D+02  0.411818D+01
               206           207 
      1  -0.880652D+01 -0.853275D+01
      2   0.780717D+01  0.389140D+01
      3   0.999351D+00  0.464135D+01
      4  -0.932278D+00  0.116213D+01
      5  -0.430033D-01 -0.177615D+01
      6   0.100574D+02  0.782288D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Jul 18 15:03:18 2021, MaxMem=  5637144576 cpu:           51427.6 elap:            6460.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.27577 -10.34603 -10.33981 -10.30635 -10.30565
 Alpha  occ. eigenvalues --  -10.30486 -10.30052 -10.30000 -10.29950 -10.29884
 Alpha  occ. eigenvalues --  -10.28409  -1.14739  -0.96979  -0.90771  -0.87293
 Alpha  occ. eigenvalues --   -0.84042  -0.79713  -0.75141  -0.72195  -0.69787
 Alpha  occ. eigenvalues --   -0.64185  -0.60963  -0.58137  -0.57349  -0.55331
 Alpha  occ. eigenvalues --   -0.54424  -0.52300  -0.51004  -0.50143  -0.48329
 Alpha  occ. eigenvalues --   -0.46749  -0.46684  -0.44793  -0.43854  -0.43127
 Alpha  occ. eigenvalues --   -0.40813  -0.39397  -0.34257  -0.32563  -0.31897
 Alpha virt. eigenvalues --    0.03521   0.04038   0.04375   0.04674   0.05272
 Alpha virt. eigenvalues --    0.05512   0.05778   0.06105   0.06871   0.07109
 Alpha virt. eigenvalues --    0.07896   0.08060   0.08529   0.09779   0.10788
 Alpha virt. eigenvalues --    0.12070   0.12573   0.12798   0.13231   0.13434
 Alpha virt. eigenvalues --    0.13972   0.14401   0.14665   0.14944   0.15283
 Alpha virt. eigenvalues --    0.16024   0.16246   0.16370   0.16860   0.17120
 Alpha virt. eigenvalues --    0.17564   0.18195   0.18350   0.18933   0.19650
 Alpha virt. eigenvalues --    0.19799   0.20287   0.20682   0.21254   0.21431
 Alpha virt. eigenvalues --    0.21970   0.22379   0.23351   0.23730   0.24191
 Alpha virt. eigenvalues --    0.24544   0.25932   0.26079   0.26798   0.26882
 Alpha virt. eigenvalues --    0.27365   0.28212   0.28379   0.28996   0.29430
 Alpha virt. eigenvalues --    0.29650   0.30429   0.30850   0.31552   0.32424
 Alpha virt. eigenvalues --    0.32481   0.33096   0.33309   0.33931   0.34388
 Alpha virt. eigenvalues --    0.35257   0.35855   0.36193   0.36311   0.36925
 Alpha virt. eigenvalues --    0.37578   0.38113   0.38183   0.39182   0.39414
 Alpha virt. eigenvalues --    0.40425   0.40819   0.41510   0.41670   0.43127
 Alpha virt. eigenvalues --    0.43531   0.44284   0.44489   0.44979   0.46124
 Alpha virt. eigenvalues --    0.46955   0.47363   0.48080   0.48845   0.48916
 Alpha virt. eigenvalues --    0.49352   0.50857   0.50985   0.51804   0.52136
 Alpha virt. eigenvalues --    0.52948   0.53656   0.54413   0.55070   0.56048
 Alpha virt. eigenvalues --    0.56632   0.57085   0.57333   0.58173   0.58890
 Alpha virt. eigenvalues --    0.59077   0.59821   0.60777   0.61641   0.61725
 Alpha virt. eigenvalues --    0.62198   0.62716   0.63146   0.64061   0.64417
 Alpha virt. eigenvalues --    0.65268   0.65486   0.65546   0.66038   0.66402
 Alpha virt. eigenvalues --    0.67429   0.67948   0.68450   0.69660   0.69881
 Alpha virt. eigenvalues --    0.70648   0.71048   0.71496   0.72307   0.72936
 Alpha virt. eigenvalues --    0.73505   0.74088   0.74203   0.75086   0.75421
 Alpha virt. eigenvalues --    0.76397   0.77162   0.77504   0.78444   0.79301
 Alpha virt. eigenvalues --    0.80108   0.80780   0.81107   0.81768   0.83194
 Alpha virt. eigenvalues --    0.83722   0.84748   0.85140   0.85697   0.86758
 Alpha virt. eigenvalues --    0.87225   0.87395   0.87921   0.88485   0.88758
 Alpha virt. eigenvalues --    0.89416   0.90751   0.91611   0.92624   0.93604
 Alpha virt. eigenvalues --    0.94464   0.95181   0.96586   0.97689   0.98934
 Alpha virt. eigenvalues --    1.00450   1.01218   1.01805   1.02991   1.04114
 Alpha virt. eigenvalues --    1.04456   1.06128   1.07321   1.07682   1.11088
 Alpha virt. eigenvalues --    1.11236   1.12348   1.14662   1.15529   1.16918
 Alpha virt. eigenvalues --    1.19078   1.21019   1.21607   1.23807   1.24798
 Alpha virt. eigenvalues --    1.27366   1.27720   1.30119   1.32934   1.34179
 Alpha virt. eigenvalues --    1.38324   1.39631   1.40320   1.41183   1.42447
 Alpha virt. eigenvalues --    1.43523   1.45046   1.46215   1.47920   1.48015
 Alpha virt. eigenvalues --    1.49048   1.49743   1.50320   1.51674   1.52801
 Alpha virt. eigenvalues --    1.53676   1.55258   1.56888   1.58768   1.59012
 Alpha virt. eigenvalues --    1.59675   1.61390   1.62194   1.63480   1.63599
 Alpha virt. eigenvalues --    1.64709   1.66359   1.67797   1.68809   1.69324
 Alpha virt. eigenvalues --    1.71626   1.72225   1.73102   1.75236   1.77280
 Alpha virt. eigenvalues --    1.77632   1.78149   1.78854   1.79137   1.80429
 Alpha virt. eigenvalues --    1.82266   1.82962   1.83944   1.84533   1.86420
 Alpha virt. eigenvalues --    1.87025   1.88502   1.89263   1.91018   1.91650
 Alpha virt. eigenvalues --    1.92360   1.92925   1.94942   1.96406   1.97450
 Alpha virt. eigenvalues --    1.98538   2.00337   2.00680   2.01980   2.04056
 Alpha virt. eigenvalues --    2.05678   2.06938   2.08165   2.08475   2.09012
 Alpha virt. eigenvalues --    2.10743   2.12716   2.14365   2.15172   2.15616
 Alpha virt. eigenvalues --    2.17135   2.18294   2.19198   2.19973   2.21977
 Alpha virt. eigenvalues --    2.23158   2.23657   2.26457   2.27972   2.28555
 Alpha virt. eigenvalues --    2.30841   2.32776   2.34578   2.35714   2.37656
 Alpha virt. eigenvalues --    2.39115   2.41509   2.42731   2.43684   2.45556
 Alpha virt. eigenvalues --    2.47114   2.47909   2.52857   2.54716   2.56513
 Alpha virt. eigenvalues --    2.58901   2.59968   2.61311   2.63366   2.63933
 Alpha virt. eigenvalues --    2.66022   2.67908   2.69171   2.71902   2.73443
 Alpha virt. eigenvalues --    2.75684   2.78092   2.84693   2.87045   2.89350
 Alpha virt. eigenvalues --    2.92433   2.93207   2.96446   2.98488   3.02968
 Alpha virt. eigenvalues --    3.11560   3.17237   3.19456   3.21401   3.23253
 Alpha virt. eigenvalues --    3.31048   3.56068   3.59161   3.61223   3.65626
 Alpha virt. eigenvalues --    3.73246   3.81164   3.84687   3.93643   4.00627
 Alpha virt. eigenvalues --    4.69213
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   15.466395  -5.970627  -7.465800   3.646130  -5.070896   5.947802
     2  C   -5.970627  14.037953   6.079310  -5.420990   3.515749  -6.262882
     3  C   -7.465800   6.079310  30.168965 -13.151660   3.126785  -8.564103
     4  C    3.646130  -5.420990 -13.151660  29.559773 -12.510825   2.882269
     5  C   -5.070896   3.515749   3.126785 -12.510825  27.594540 -10.929064
     6  C    5.947802  -6.262882  -8.564103   2.882269 -10.929064  26.252907
     7  C   -0.440102   0.280144  -2.894233  -1.193631  -1.371250   0.197698
     8  C   -0.181116   0.059182  -0.105374  -0.039334   0.274219  -0.209595
     9  O    0.001281  -0.011080   0.001878  -0.183215   0.268450  -0.152049
    10  C    0.209582  -0.149006   0.345744  -0.417285   0.149526  -2.220755
    11  H   -1.774069   0.824725   0.978572  -0.188054   0.033997  -0.309148
    12  H    0.835632  -1.507562  -0.213606  -0.037575  -0.179683   0.721901
    13  H    0.967587  -0.422495  -2.920426   1.739473  -0.774962   0.381527
    14  H   -0.383492   0.727322   0.256030  -0.307739   1.354846  -2.326881
    15  H   -0.017323   0.030378   0.265035   0.257214   0.126030  -0.066296
    16  C    0.092501  -0.038691  -0.209623  -0.171592   0.014174   0.020010
    17  H   -0.014040   0.000719   0.044574  -0.210200  -0.198056   0.044291
    18  H   -0.002082   0.001343  -0.024194   0.497949  -0.077321  -0.019264
    19  H    0.018919  -0.041382   0.015939   0.059106   0.204960  -0.143487
    20  H    0.004195   0.036778  -0.052819   0.036676  -0.047073   0.236523
    21  H   -0.033621   0.019293   0.175889  -0.247229   0.132557  -0.004757
    22  H    0.015258  -0.010162  -0.091727   0.496541  -0.142928   0.009229
    23  H    0.006996   0.024117   0.051996  -0.342635   0.072040  -0.043165
               7          8          9         10         11         12
     1  C   -0.440102  -0.181116   0.001281   0.209582  -1.774069   0.835632
     2  C    0.280144   0.059182  -0.011080  -0.149006   0.824725  -1.507562
     3  C   -2.894233  -0.105374   0.001878   0.345744   0.978572  -0.213606
     4  C   -1.193631  -0.039334  -0.183215  -0.417285  -0.188054  -0.037575
     5  C   -1.371250   0.274219   0.268450   0.149526   0.033997  -0.179683
     6  C    0.197698  -0.209595  -0.152049  -2.220755  -0.309148   0.721901
     7  C   13.759226  -0.906626   0.026337  -0.617977   0.053710  -0.030509
     8  C   -0.906626   5.888404   0.304500  -0.287030   0.005228   0.004372
     9  O    0.026337   0.304500   8.954882  -0.338741  -0.000318   0.000545
    10  C   -0.617977  -0.287030  -0.338741   8.451592  -0.018230   0.042453
    11  H    0.053710   0.005228  -0.000318  -0.018230   2.341529  -0.114786
    12  H   -0.030509   0.004372   0.000545   0.042453  -0.114786   2.308706
    13  H    0.123516   0.013663   0.002247  -0.035209  -0.156303  -0.028310
    14  H    0.010345   0.013687   0.004271  -0.003539  -0.026191  -0.152983
    15  H   -1.340833   0.121026   0.017192  -0.053640  -0.002371   0.000346
    16  C    0.495426  -0.061056   0.057421  -0.210011  -0.001870  -0.000115
    17  H    0.564754  -0.060049  -0.006503  -0.005761   0.000191  -0.000010
    18  H   -0.338543  -0.031547  -0.196450   0.084643   0.000682   0.000066
    19  H   -0.024622   0.007675  -0.003521   0.218296  -0.000251   0.001388
    20  H    0.083298  -0.065073  -0.137270  -0.179884   0.000048   0.000151
    21  H   -0.105432  -0.075886   0.017265  -0.108011  -0.000849   0.000458
    22  H   -0.328850   0.130340   0.005186   0.066632   0.000730  -0.000236
    23  H    0.367830  -0.105694   0.000690   0.009264  -0.000506   0.000376
              13         14         15         16         17         18
     1  C    0.967587  -0.383492  -0.017323   0.092501  -0.014040  -0.002082
     2  C   -0.422495   0.727322   0.030378  -0.038691   0.000719   0.001343
     3  C   -2.920426   0.256030   0.265035  -0.209623   0.044574  -0.024194
     4  C    1.739473  -0.307739   0.257214  -0.171592  -0.210200   0.497949
     5  C   -0.774962   1.354846   0.126030   0.014174  -0.198056  -0.077321
     6  C    0.381527  -2.326881  -0.066296   0.020010   0.044291  -0.019264
     7  C    0.123516   0.010345  -1.340833   0.495426   0.564754  -0.338543
     8  C    0.013663   0.013687   0.121026  -0.061056  -0.060049  -0.031547
     9  O    0.002247   0.004271   0.017192   0.057421  -0.006503  -0.196450
    10  C   -0.035209  -0.003539  -0.053640  -0.210011  -0.005761   0.084643
    11  H   -0.156303  -0.026191  -0.002371  -0.001870   0.000191   0.000682
    12  H   -0.028310  -0.152983   0.000346  -0.000115  -0.000010   0.000066
    13  H    3.069472   0.019324  -0.042922   0.085299   0.004741  -0.002222
    14  H    0.019324   2.711394  -0.002325   0.004611   0.002742  -0.000446
    15  H   -0.042922  -0.002325   2.151703   0.065947  -0.116243  -0.015404
    16  C    0.085299   0.004611   0.065947   4.469640   0.009184  -0.080937
    17  H    0.004741   0.002742  -0.116243   0.009184   1.791829  -0.577371
    18  H   -0.002222  -0.000446  -0.015404  -0.080937  -0.577371   2.222609
    19  H   -0.003017  -0.002831   0.006480  -0.009984  -0.027165   0.010621
    20  H   -0.004412  -0.030961  -0.002033   0.014285   0.007933   0.004548
    21  H    0.007092   0.001037   0.096854   0.338304   0.005904  -0.053769
    22  H    0.005065   0.000465  -0.039892  -0.010497   0.031520  -0.022577
    23  H   -0.043643  -0.001448  -0.016504   0.210404  -0.018104   0.021535
              19         20         21         22         23
     1  C    0.018919   0.004195  -0.033621   0.015258   0.006996
     2  C   -0.041382   0.036778   0.019293  -0.010162   0.024117
     3  C    0.015939  -0.052819   0.175889  -0.091727   0.051996
     4  C    0.059106   0.036676  -0.247229   0.496541  -0.342635
     5  C    0.204960  -0.047073   0.132557  -0.142928   0.072040
     6  C   -0.143487   0.236523  -0.004757   0.009229  -0.043165
     7  C   -0.024622   0.083298  -0.105432  -0.328850   0.367830
     8  C    0.007675  -0.065073  -0.075886   0.130340  -0.105694
     9  O   -0.003521  -0.137270   0.017265   0.005186   0.000690
    10  C    0.218296  -0.179884  -0.108011   0.066632   0.009264
    11  H   -0.000251   0.000048  -0.000849   0.000730  -0.000506
    12  H    0.001388   0.000151   0.000458  -0.000236   0.000376
    13  H   -0.003017  -0.004412   0.007092   0.005065  -0.043643
    14  H   -0.002831  -0.030961   0.001037   0.000465  -0.001448
    15  H    0.006480  -0.002033   0.096854  -0.039892  -0.016504
    16  C   -0.009984   0.014285   0.338304  -0.010497   0.210404
    17  H   -0.027165   0.007933   0.005904   0.031520  -0.018104
    18  H    0.010621   0.004548  -0.053769  -0.022577   0.021535
    19  H    1.089644  -0.355831   0.000355   0.000601   0.000732
    20  H   -0.355831   1.658685  -0.009557   0.002499   0.003466
    21  H    0.000355  -0.009557   1.585601  -0.292378  -0.360147
    22  H    0.000601   0.002499  -0.292378   1.780490  -0.364484
    23  H    0.000732   0.003466  -0.360147  -0.364484   1.769140
 Mulliken charges:
               1
     1  C    0.140889
     2  C    0.197864
     3  C    0.182846
     4  C    1.246835
     5  C    0.434184
     6  C    0.557289
     7  C   -0.369678
     8  C    1.306084
     9  O   -0.632994
    10  C    1.067348
    11  H   -0.646464
    12  H   -0.651020
    13  H   -0.985086
    14  H   -0.867239
    15  H   -0.422421
    16  C    0.917168
    17  H   -0.274880
    18  H   -0.401870
    19  H   -0.022629
    20  H   -0.204172
    21  H   -0.088973
    22  H   -0.240826
    23  H   -0.242256
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.505575
     2  C   -0.453157
     3  C   -0.802240
     4  C    1.246835
     5  C    0.434184
     6  C   -0.309949
     7  C   -0.792099
     8  C    0.629334
     9  O   -0.632994
    10  C    0.840546
    16  C    0.345114
 Electronic spatial extent (au):  <R**2>=           1639.0775
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.5466    Y=              0.4989    Z=             -0.8102  Tot=              1.0973
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -64.8840   YY=            -61.6959   ZZ=            -68.3862
   XY=             -3.2235   XZ=              2.8687   YZ=             -0.9669
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.1047   YY=              3.2928   ZZ=             -3.3975
   XY=             -3.2235   XZ=              2.8687   YZ=             -0.9669
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              6.3223  YYY=             -7.2005  ZZZ=              0.5398  XYY=              5.1769
  XXY=              8.6443  XXZ=             -3.6768  XZZ=            -10.8421  YZZ=             -3.5881
  YYZ=             -0.0514  XYZ=             -3.3405
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1275.9486 YYYY=           -680.5203 ZZZZ=           -184.0296 XXXY=            -15.1072
 XXXZ=             19.0129 YYYX=              8.0212 YYYZ=            -12.9205 ZZZX=              0.9942
 ZZZY=             -2.4199 XXYY=           -342.9988 XXZZ=           -273.7406 YYZZ=           -148.7947
 XXYZ=             -3.3337 YYXZ=              3.1649 ZZXY=              3.6938
 N-N= 6.087431425871D+02 E-N=-2.294348962416D+03  KE= 4.606392184387D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Jul 18 15:03:20 2021, MaxMem=  5637144576 cpu:              11.5 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.26347213D-01 1.89666481D-01-3.08094183D-01
 Polarizability= 1.39945018D+02-2.82458637D+00 1.23418169D+02
                 2.87767968D+00-3.88014091D+00 8.04670895D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.3244   -1.3239       -1.2061   -1.2037
 2      1.3244    1.3239        1.9019    1.9025       -9.2717   -9.2652
 3      1.2061    1.2037       30.9177   30.9040       -1.8997   -1.9025
 4     -1.9019   -1.9025       -0.0000    0.0000        1.2069    1.2037
 5    -21.6459  -21.6389       -1.2069   -1.2037       -1.3214   -1.3239
 6      1.8997    1.9025        1.3214    1.3239        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        3.9716    3.9716       -3.6112   -3.6112
 2     -5.7075   -5.7075       -0.0000    0.0000       -3.6112   -3.6112
 3     -5.7075   -5.7075        3.9716    3.9716        0.0000    0.0000
 4      3.9716    3.9716        5.7075    5.7075      -27.7955  -27.7955
 5      3.6112    3.6112       92.7121   92.7121       -5.7075   -5.7075
 6    -64.9167  -64.9167       -3.6112   -3.6112       -3.9716   -3.9716
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1755    0.0000        5.0427    5.2955        4.6313    4.8150
 2     -5.2721   -5.2955       -7.1312   -7.6100       36.9136   37.0606
 3     -4.5705   -4.8150     -123.8056 -123.6162        7.4148    7.6100
 4      7.5021    7.6100        0.0499    0.0000       -5.0865   -4.8150
 5     86.5832   86.5555        4.9206    4.8150        5.4334    5.2955
 6     -7.6673   -7.6100       -5.2748   -5.2955       -0.0540    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0279    0.0000       -6.5661   -6.4987       -1.7967   -1.8622
 2      6.0389    6.4987      -53.1513  -53.1727       27.9248   28.0235
 3      2.0455    1.8622       13.3422   13.9966       53.8423   53.1727
 4     53.5608   53.1727        0.0886    0.0000        1.8826    1.8622
 5    -41.3147  -42.0201       -2.2096   -1.8622       -6.4660   -6.4987
 6    -53.4719  -53.1727        6.5381    6.4987        0.1200    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -4.8406   -5.0481      -35.3131  -35.5159       -6.0710   -5.8926
 2     82.9295   82.3495      -34.8252  -34.9312       -6.1627   -5.8926
 3     82.8970   82.3495      -35.4327  -35.5159       -7.1894   -6.9721
 4     -0.6048   -0.5846      -87.3182  -87.3977       26.1988   26.2607
 5     -0.7936   -1.0795       33.0207   34.5049       87.9624   87.3977
 6    -60.1971  -60.7656        0.7595    1.0795        0.4004    0.5846
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.5276   -2.6609   -0.0007   -0.0004    0.0002    5.4422
 Low frequencies ---   92.0069  119.2389  201.5494
 Diagonal vibrational polarizability:
        4.1634484       3.8790134       8.3476660
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     92.0053               119.2385               201.5491
 Red. masses --      3.0238                 3.0444                 2.8692
 Frc consts  --      0.0151                 0.0255                 0.0687
 IR Inten    --      0.5753                 0.2323                 1.2462
 RamAct Fr= 1--      3.0077                 3.0384                 1.9692
  Dep-P Fr= 1--      0.7480                 0.7419                 0.6445
  Dep-U Fr= 1--      0.8559                 0.8518                 0.7838
 Alpha2 Fr= 1--      0.0001                 0.0004                 0.0037
 Beta2  Fr= 1--      0.4290                 0.4314                 0.2573
 AlphaG Fr= 1--     -0.0001                -0.0006                 0.0077
 Gamma2 Fr= 1--      0.3111                 0.9626                 0.4716
 Delta2 Fr= 1--      0.5128                 0.4931                -0.0392
 Raman1 Fr= 1--      12.031                 12.154                  7.877
 ROA1   Fr= 1--      46.271                108.183                 44.019
 CID1   Fr= 1--       3.846                  8.901                  5.589
 Raman2 Fr= 1--       5.148                  5.176                  3.087
 ROA2   Fr= 1--       3.363                 19.157                 11.632
 CID2   Fr= 1--       0.653                  3.701                  3.768
 Raman3 Fr= 1--      10.297                 10.353                  6.174
 ROA3   Fr= 1--      46.271                108.183                 44.019
 CID3   Fr= 1--       4.494                 10.450                  7.130
 RC180  Fr= 1--       0.712                  0.704                  0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.13    -0.02   0.02  -0.02    -0.02   0.04   0.16
     2   6    -0.00   0.01   0.03    -0.03   0.05   0.18    -0.02   0.02   0.03
     3   6    -0.03   0.00   0.10    -0.01  -0.02  -0.17    -0.01   0.02   0.01
     4   6    -0.01  -0.03  -0.02    -0.01  -0.02  -0.13     0.00  -0.01  -0.14
     5   6     0.01  -0.04  -0.10    -0.01   0.00  -0.03    -0.01  -0.01  -0.13
     6   6     0.02  -0.02  -0.09    -0.02   0.04   0.15    -0.01  -0.01  -0.14
     7   6    -0.01  -0.03  -0.04    -0.01  -0.01  -0.01     0.00  -0.02  -0.09
     8   6    -0.08  -0.04   0.14    -0.08   0.03   0.06     0.01  -0.02  -0.05
     9   8     0.06  -0.03   0.12    -0.00  -0.02  -0.01    -0.02   0.09   0.08
    10   6     0.02  -0.05  -0.13    -0.01  -0.01  -0.14    -0.04   0.03   0.14
    11   1    -0.04   0.05   0.24    -0.02   0.02  -0.04    -0.03   0.07   0.35
    12   1     0.00   0.02   0.04    -0.04   0.09   0.35    -0.03   0.03   0.10
    13   1    -0.04   0.01   0.18    -0.01  -0.04  -0.27    -0.01   0.03   0.08
    14   1     0.03  -0.03  -0.15    -0.02   0.07   0.28    -0.01  -0.02  -0.19
    15   1    -0.02  -0.15  -0.14    -0.10   0.03   0.03    -0.06   0.03  -0.05
    16   6     0.05   0.18  -0.14     0.17  -0.06   0.10     0.11  -0.13   0.02
    17   1    -0.24  -0.06   0.11    -0.21   0.06   0.02     0.05  -0.12  -0.00
    18   1    -0.06  -0.02   0.29    -0.06   0.05   0.19     0.01  -0.01  -0.12
    19   1    -0.11   0.10  -0.24    -0.03   0.13  -0.24    -0.11  -0.21   0.31
    20   1     0.11  -0.19  -0.25     0.02  -0.14  -0.24     0.00   0.26   0.31
    21   1     0.04   0.31  -0.04     0.31  -0.10   0.07     0.37  -0.17  -0.01
    22   1     0.06   0.20  -0.18     0.15  -0.06   0.28     0.02  -0.27   0.22
    23   1     0.09   0.19  -0.28     0.21  -0.07   0.03     0.04  -0.04  -0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --    232.2499               253.9007               322.9162
 Red. masses --      1.1063                 2.8506                 3.1614
 Frc consts  --      0.0352                 0.1083                 0.1942
 IR Inten    --      0.4417                 2.7111                 5.0029
 RamAct Fr= 1--      0.1250                 0.4842                 0.8350
  Dep-P Fr= 1--      0.7055                 0.7388                 0.1564
  Dep-U Fr= 1--      0.8273                 0.8498                 0.2704
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0127
 Beta2  Fr= 1--      0.0172                 0.0686                 0.0376
 AlphaG Fr= 1--     -0.0011                -0.0001                -0.0026
 Gamma2 Fr= 1--     -0.1314                 0.4279                -0.3792
 Delta2 Fr= 1--      0.0589                 0.1321                -0.1474
 Raman1 Fr= 1--       0.500                  1.937                  3.340
 ROA1   Fr= 1--     -10.731                 45.306                -41.124
 CID1   Fr= 1--     -21.465                 23.392                -12.313
 Raman2 Fr= 1--       0.207                  0.823                  0.452
 ROA2   Fr= 1--      -3.626                  9.212                 -7.922
 CID2   Fr= 1--     -17.532                 11.194                -17.542
 Raman3 Fr= 1--       0.414                  1.646                  0.903
 ROA3   Fr= 1--     -10.731                 45.306                -41.124
 CID3   Fr= 1--     -25.945                 27.526                -45.532
 RC180  Fr= 1--       0.655                  0.700                 -0.459
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.01    -0.06   0.06   0.01    -0.06   0.06  -0.06
     2   6    -0.00  -0.01  -0.02    -0.02   0.06  -0.04    -0.01   0.05  -0.13
     3   6     0.00   0.00   0.02    -0.07   0.00   0.04    -0.09   0.01   0.15
     4   6    -0.00   0.01   0.03    -0.02  -0.05   0.03    -0.01  -0.07   0.07
     5   6    -0.01   0.01   0.03    -0.01  -0.04   0.05    -0.00  -0.06   0.12
     6   6    -0.01   0.00   0.01     0.02   0.01  -0.01     0.03   0.01   0.11
     7   6    -0.01   0.00   0.02     0.01  -0.02   0.03     0.05  -0.05  -0.09
     8   6     0.01  -0.00  -0.01    -0.02   0.01  -0.03     0.03  -0.00  -0.08
     9   8    -0.01  -0.03  -0.04    -0.07  -0.12  -0.17    -0.01   0.14   0.08
    10   6     0.00  -0.01  -0.00    -0.00  -0.06   0.10    -0.08  -0.00  -0.07
    11   1     0.01  -0.02  -0.03    -0.08   0.09   0.01    -0.09   0.08  -0.16
    12   1    -0.00  -0.02  -0.04    -0.00   0.08  -0.10     0.02   0.08  -0.30
    13   1     0.01   0.01   0.02    -0.14  -0.01   0.06    -0.18   0.01   0.22
    14   1    -0.02  -0.00   0.01     0.08   0.02  -0.04     0.11   0.04   0.15
    15   1    -0.02  -0.01   0.01     0.05  -0.05   0.00     0.14  -0.03  -0.07
    16   6     0.02   0.04   0.00     0.21   0.13   0.01     0.13  -0.10  -0.05
    17   1     0.04   0.03  -0.01    -0.03   0.14  -0.08     0.10  -0.15  -0.01
    18   1     0.01  -0.01  -0.03    -0.01   0.01   0.01     0.03   0.03  -0.20
    19   1     0.04  -0.00  -0.01     0.15  -0.25   0.25    -0.19   0.25  -0.25
    20   1    -0.01  -0.01  -0.00    -0.08   0.13   0.26    -0.14  -0.25  -0.25
    21   1     0.55   0.21   0.16     0.05   0.17   0.04     0.23  -0.15  -0.08
    22   1    -0.21  -0.42   0.19     0.32   0.41   0.04     0.11  -0.10   0.08
    23   1    -0.27   0.39  -0.36     0.45  -0.06  -0.04     0.16  -0.12  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    357.2463               385.6409               440.8882
 Red. masses --      3.5440                 2.3758                 3.3059
 Frc consts  --      0.2665                 0.2082                 0.3786
 IR Inten    --      0.2966                 0.4124                 3.9621
 RamAct Fr= 1--      0.3044                 2.6592                 1.2904
  Dep-P Fr= 1--      0.7153                 0.3359                 0.6395
  Dep-U Fr= 1--      0.8340                 0.5029                 0.7801
 Alpha2 Fr= 1--      0.0002                 0.0244                 0.0026
 Beta2  Fr= 1--      0.0423                 0.2229                 0.1678
 AlphaG Fr= 1--     -0.0003                -0.0100                 0.0061
 Gamma2 Fr= 1--     -0.7485                 0.0305                 0.4679
 Delta2 Fr= 1--     -0.2118                 0.1478                 0.1099
 Raman1 Fr= 1--       1.218                 10.637                  5.162
 ROA1   Fr= 1--     -78.635                  7.653                 48.435
 CID1   Fr= 1--     -64.578                  0.719                  9.384
 Raman2 Fr= 1--       0.508                  2.674                  2.013
 ROA2   Fr= 1--     -16.270                 -0.452                 10.351
 CID2   Fr= 1--     -32.041                 -0.169                  5.141
 Raman3 Fr= 1--       1.016                  5.349                  4.027
 ROA3   Fr= 1--     -78.635                  7.653                 48.435
 CID3   Fr= 1--     -77.432                  1.431                 12.029
 RC180  Fr= 1--       0.668                  0.006                  0.560
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.05   0.02    -0.04  -0.04  -0.02    -0.08  -0.08  -0.09
     2   6     0.00  -0.09  -0.11    -0.10  -0.04   0.01    -0.01  -0.05  -0.02
     3   6     0.10   0.10   0.13    -0.02   0.04  -0.00    -0.09  -0.02   0.15
     4   6     0.03   0.14  -0.06    -0.04   0.07  -0.01    -0.07  -0.04  -0.09
     5   6    -0.03   0.16   0.05    -0.07   0.06  -0.04     0.03  -0.04  -0.17
     6   6    -0.09   0.06   0.09    -0.12   0.00   0.00    -0.01  -0.02   0.15
     7   6    -0.04  -0.03  -0.11    -0.04   0.03   0.03    -0.06   0.07  -0.03
     8   6    -0.11  -0.08   0.05     0.17  -0.12  -0.05    -0.02   0.07  -0.01
     9   8    -0.05  -0.12  -0.02     0.07  -0.03   0.07     0.18   0.08  -0.05
    10   6     0.04   0.09   0.01     0.04  -0.02  -0.04     0.12  -0.03   0.03
    11   1     0.15  -0.12   0.02    -0.00  -0.09  -0.02    -0.09  -0.07  -0.15
    12   1    -0.02  -0.20  -0.26    -0.11  -0.07   0.04     0.00   0.00   0.01
    13   1     0.22   0.15   0.26     0.03   0.06   0.01    -0.08   0.03   0.41
    14   1    -0.21   0.05   0.15    -0.19  -0.00   0.02    -0.06   0.03   0.43
    15   1    -0.18  -0.08  -0.14    -0.11   0.01   0.02    -0.04   0.11   0.00
    16   6     0.07  -0.09  -0.06     0.06   0.07   0.05    -0.03   0.02   0.02
    17   1    -0.33  -0.08   0.01     0.56  -0.18   0.05    -0.16   0.14  -0.06
    18   1    -0.08  -0.01   0.24     0.11  -0.27  -0.43    -0.04  -0.03   0.19
    19   1     0.16   0.11  -0.00     0.00   0.06  -0.09     0.08  -0.32   0.23
    20   1     0.12   0.08  -0.01     0.15  -0.08  -0.10     0.12   0.24   0.23
    21   1     0.06  -0.19  -0.13     0.01   0.09   0.06     0.02  -0.02  -0.01
    22   1     0.09   0.01   0.05     0.12   0.23   0.11    -0.05  -0.00   0.07
    23   1     0.16  -0.19   0.01     0.21  -0.03   0.01    -0.05   0.03   0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    471.3334               524.9805               554.0479
 Red. masses --      4.0221                 3.5738                 3.5664
 Frc consts  --      0.5265                 0.5803                 0.6450
 IR Inten    --      3.1414                 0.2801                 3.3016
 RamAct Fr= 1--      2.3820                 8.5355                 0.3226
  Dep-P Fr= 1--      0.3170                 0.1957                 0.4150
  Dep-U Fr= 1--      0.4814                 0.3273                 0.5865
 Alpha2 Fr= 1--      0.0232                 0.1173                 0.0023
 Beta2  Fr= 1--      0.1911                 0.4656                 0.0315
 AlphaG Fr= 1--      0.0149                 0.0198                -0.0076
 Gamma2 Fr= 1--     -0.1310                -0.2629                 0.2196
 Delta2 Fr= 1--      0.0976                -0.0351                -0.0412
 Raman1 Fr= 1--       9.528                 34.142                  1.290
 ROA1   Fr= 1--      -9.457                -26.365                 19.762
 CID1   Fr= 1--      -0.993                 -0.772                 15.314
 Raman2 Fr= 1--       2.293                  5.587                  0.378
 ROA2   Fr= 1--      -3.926                 -6.029                  5.600
 CID2   Fr= 1--      -1.712                 -1.079                 14.798
 Raman3 Fr= 1--       4.587                 11.174                  0.757
 ROA3   Fr= 1--      -9.457                -26.365                 19.762
 CID3   Fr= 1--      -2.062                 -2.360                 26.110
 RC180  Fr= 1--      -0.037                 -0.345                  0.173
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13  -0.07   0.14    -0.07   0.04  -0.04     0.01  -0.06  -0.19
     2   6    -0.02  -0.08  -0.03    -0.22   0.03   0.02     0.01   0.01   0.23
     3   6    -0.09  -0.06  -0.12    -0.02   0.10  -0.02    -0.01   0.02   0.10
     4   6    -0.09   0.01   0.05     0.07   0.02   0.07    -0.03   0.06   0.24
     5   6     0.03   0.07   0.25    -0.08  -0.01   0.00     0.03   0.04  -0.06
     6   6    -0.00  -0.08  -0.07    -0.14  -0.04  -0.03     0.02  -0.02  -0.14
     7   6    -0.07   0.04  -0.08     0.22   0.02  -0.02    -0.05  -0.06  -0.03
     8   6    -0.05   0.03  -0.03     0.12   0.09   0.12    -0.09  -0.05  -0.05
     9   8     0.19   0.07  -0.05     0.07  -0.05  -0.01     0.00   0.04   0.00
    10   6     0.15   0.07   0.02     0.02  -0.07   0.01     0.02   0.08  -0.01
    11   1    -0.14  -0.04   0.21     0.02  -0.07  -0.09     0.02  -0.12  -0.52
    12   1     0.01  -0.05  -0.20    -0.22   0.02   0.04     0.00   0.05   0.39
    13   1    -0.02  -0.09  -0.37    -0.10   0.07  -0.09     0.04   0.00  -0.07
    14   1    -0.06  -0.14  -0.37    -0.11  -0.04  -0.10    -0.01  -0.06  -0.32
    15   1    -0.00   0.07  -0.06     0.25  -0.03  -0.07     0.07  -0.08  -0.05
    16   6     0.03  -0.02  -0.01     0.03  -0.09  -0.10     0.06  -0.05  -0.05
    17   1    -0.20   0.07  -0.08    -0.18   0.14   0.05    -0.16  -0.09  -0.05
    18   1    -0.07  -0.07   0.17     0.19   0.26   0.40    -0.08  -0.03   0.00
    19   1     0.30   0.21  -0.08     0.07  -0.14   0.06     0.00  -0.03   0.07
    20   1     0.02  -0.07  -0.07     0.05  -0.01   0.06     0.05   0.18   0.06
    21   1     0.12  -0.10  -0.06    -0.01  -0.20  -0.18     0.15  -0.05  -0.04
    22   1     0.02   0.02   0.16    -0.02  -0.28  -0.24     0.07   0.05   0.12
    23   1     0.09  -0.07  -0.01    -0.17   0.00   0.11     0.18  -0.12  -0.14
                     13                     14                     15
                      A                      A                      A
 Frequencies --    621.8870               706.4100               735.3029
 Red. masses --      4.5836                 3.5550                 4.2478
 Frc consts  --      1.0444                 1.0452                 1.3531
 IR Inten    --      4.3133                 9.6296                 2.2974
 RamAct Fr= 1--      2.4903                 0.8175                24.0096
  Dep-P Fr= 1--      0.3145                 0.5638                 0.0412
  Dep-U Fr= 1--      0.4785                 0.7210                 0.0791
 Alpha2 Fr= 1--      0.0244                 0.0029                 0.4843
 Beta2  Fr= 1--      0.1986                 0.0982                 0.3166
 AlphaG Fr= 1--      0.0335                -0.0060                -0.0143
 Gamma2 Fr= 1--      0.1353                -0.3048                -1.6283
 Delta2 Fr= 1--      0.1575                -0.2318                -0.6704
 Raman1 Fr= 1--       9.961                  3.270                 96.038
 ROA1   Fr= 1--      18.032                -36.677               -177.768
 CID1   Fr= 1--       1.810                -11.216                 -1.851
 Raman2 Fr= 1--       2.383                  1.179                  3.799
 ROA2   Fr= 1--       1.988                 -5.460                -33.716
 CID2   Fr= 1--       0.834                 -4.631                 -8.874
 Raman3 Fr= 1--       4.767                  2.358                  7.599
 ROA3   Fr= 1--      18.032                -36.677               -177.768
 CID3   Fr= 1--       3.783                -15.555                -23.395
 RC180  Fr= 1--      -0.043                  0.442                 -0.842
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.18  -0.04   0.00    -0.12  -0.10  -0.08     0.03   0.05  -0.05
     2   6    -0.08  -0.07  -0.03     0.12  -0.02   0.08    -0.10   0.02   0.05
     3   6    -0.08   0.17  -0.05    -0.10  -0.04   0.06     0.07   0.26   0.01
     4   6     0.10   0.00  -0.06    -0.06   0.02  -0.10     0.11   0.05  -0.08
     5   6     0.17   0.04  -0.06     0.05   0.05   0.05     0.07  -0.11   0.11
     6   6     0.08  -0.22   0.06     0.11  -0.03  -0.07     0.08  -0.24   0.01
     7   6     0.06  -0.19   0.14     0.03   0.18  -0.09    -0.09   0.12  -0.11
     8   6    -0.01  -0.03  -0.00     0.10   0.07   0.11    -0.08  -0.03  -0.06
     9   8    -0.08   0.01  -0.02    -0.14  -0.13   0.03     0.02  -0.00   0.01
    10   6     0.05   0.25  -0.01     0.02   0.03   0.03    -0.05  -0.17   0.03
    11   1    -0.10  -0.12   0.15    -0.22   0.02   0.00     0.22  -0.17  -0.09
    12   1    -0.01   0.18   0.04     0.17   0.15   0.19    -0.04   0.14  -0.08
    13   1    -0.08   0.19   0.10    -0.04   0.01   0.26     0.07   0.26   0.03
    14   1     0.02  -0.19   0.22     0.03  -0.04  -0.03     0.25  -0.24  -0.15
    15   1     0.04  -0.15   0.17    -0.04   0.05  -0.20    -0.14   0.12  -0.11
    16   6     0.00  -0.01   0.01     0.01   0.01  -0.04    -0.05   0.08   0.07
    17   1     0.05  -0.02   0.00     0.30   0.05   0.16    -0.10  -0.07  -0.04
    18   1     0.01   0.09  -0.11     0.10   0.07  -0.11    -0.11  -0.16  -0.01
    19   1     0.06   0.28  -0.03     0.05   0.22  -0.09    -0.07  -0.12  -0.01
    20   1     0.10   0.23  -0.05     0.06  -0.12  -0.10    -0.19  -0.23   0.00
    21   1    -0.15   0.25   0.21     0.08  -0.30  -0.29     0.07  -0.09  -0.06
    22   1     0.05  -0.00  -0.27    -0.06  -0.13   0.08    -0.08   0.12   0.32
    23   1    -0.02   0.06  -0.16    -0.12   0.02   0.29    -0.00   0.01   0.16
                     16                     17                     18
                      A                      A                      A
 Frequencies --    744.1165               771.3808               843.9545
 Red. masses --      2.0765                 1.6692                 3.2553
 Frc consts  --      0.6774                 0.5852                 1.3661
 IR Inten    --     26.6792                28.0750                 1.6239
 RamAct Fr= 1--      1.4391                 2.4466                 3.2369
  Dep-P Fr= 1--      0.3314                 0.4173                 0.4182
  Dep-U Fr= 1--      0.4979                 0.5889                 0.5898
 Alpha2 Fr= 1--      0.0134                 0.0170                 0.0224
 Beta2  Fr= 1--      0.1194                 0.2401                 0.3182
 AlphaG Fr= 1--     -0.0192                 0.0084                -0.0406
 Gamma2 Fr= 1--      0.3501                -0.5375                 0.7680
 Delta2 Fr= 1--     -0.0774                 0.3090                 0.2979
 Raman1 Fr= 1--       5.756                  9.787                 12.947
 ROA1   Fr= 1--      31.128                -41.715                 83.264
 CID1   Fr= 1--       5.408                 -4.262                  6.431
 Raman2 Fr= 1--       1.433                  2.882                  3.818
 ROA2   Fr= 1--       9.021                -15.373                 16.050
 CID2   Fr= 1--       6.295                 -5.335                  4.204
 Raman3 Fr= 1--       2.866                  5.763                  7.636
 ROA3   Fr= 1--      31.128                -41.715                 83.264
 CID3   Fr= 1--      10.862                 -7.238                 10.904
 RC180  Fr= 1--      -0.004                  0.178                  0.180
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.01  -0.13    -0.00   0.00  -0.01     0.08   0.11   0.02
     2   6    -0.05   0.03   0.03     0.01  -0.02  -0.11    -0.16   0.06  -0.02
     3   6     0.02  -0.04   0.04     0.01   0.02  -0.09     0.03  -0.15   0.05
     4   6     0.02  -0.06  -0.12    -0.01   0.04   0.17     0.05  -0.13   0.02
     5   6    -0.04   0.01   0.14     0.01  -0.01  -0.04     0.02  -0.05  -0.04
     6   6    -0.04   0.02  -0.12     0.02  -0.03  -0.00    -0.04  -0.06  -0.01
     7   6     0.00  -0.05   0.03    -0.02   0.04  -0.03     0.05   0.09  -0.08
     8   6    -0.01  -0.01  -0.02    -0.02  -0.01  -0.01    -0.08  -0.05  -0.05
     9   8     0.05   0.03  -0.02    -0.01  -0.01   0.01    -0.04  -0.07   0.03
    10   6     0.01   0.02   0.04    -0.01  -0.02  -0.01     0.11   0.19   0.01
    11   1     0.03   0.10   0.39    -0.02   0.08   0.54     0.10   0.06  -0.18
    12   1    -0.11   0.02   0.49    -0.03   0.12   0.54    -0.20  -0.04  -0.04
    13   1    -0.06   0.05   0.56     0.01   0.05   0.10    -0.19  -0.23  -0.12
    14   1    -0.03   0.06   0.09    -0.01   0.06   0.49     0.08  -0.01   0.14
    15   1    -0.04   0.00   0.08     0.09  -0.01  -0.07     0.26   0.03  -0.13
    16   6    -0.01  -0.00   0.02     0.00   0.00  -0.02    -0.02   0.10   0.07
    17   1    -0.06   0.02  -0.04    -0.03  -0.03  -0.00    -0.00  -0.16   0.01
    18   1    -0.01  -0.01   0.05    -0.02  -0.02  -0.00    -0.10  -0.12  -0.12
    19   1     0.12   0.19  -0.08    -0.03  -0.05   0.01     0.15   0.25  -0.03
    20   1    -0.09  -0.15  -0.07     0.01  -0.00   0.01     0.25   0.13  -0.06
    21   1    -0.07   0.12   0.11     0.10  -0.12  -0.11     0.05  -0.17  -0.14
    22   1     0.02   0.02  -0.10    -0.02   0.02   0.15    -0.10  -0.03   0.21
    23   1    -0.01   0.03  -0.07     0.04  -0.05   0.04    -0.13   0.10   0.36
                     19                     20                     21
                      A                      A                      A
 Frequencies --    877.7424               889.5115               935.5473
 Red. masses --      1.3484                 2.7790                 2.7401
 Frc consts  --      0.6121                 1.2955                 1.4130
 IR Inten    --      0.0483                 3.4335                14.7731
 RamAct Fr= 1--      1.1717                 4.1957                 4.0587
  Dep-P Fr= 1--      0.5683                 0.1798                 0.7440
  Dep-U Fr= 1--      0.7247                 0.3048                 0.8532
 Alpha2 Fr= 1--      0.0040                 0.0601                 0.0004
 Beta2  Fr= 1--      0.1415                 0.2131                 0.5772
 AlphaG Fr= 1--     -0.0120                 0.0361                 0.0026
 Gamma2 Fr= 1--      0.5568                 1.7315                -1.3433
 Delta2 Fr= 1--      0.1597                 1.5001                -0.5657
 Raman1 Fr= 1--       4.687                 16.783                 16.235
 ROA1   Fr= 1--      58.564                214.222               -147.059
 CID1   Fr= 1--      12.495                 12.764                 -9.058
 Raman2 Fr= 1--       1.698                  2.558                  6.926
 ROA2   Fr= 1--      12.086                 29.554                -27.713
 CID2   Fr= 1--       7.116                 11.555                 -4.001
 Raman3 Fr= 1--       3.397                  5.115                 13.852
 ROA3   Fr= 1--      58.564                214.222               -147.059
 CID3   Fr= 1--      17.241                 41.878                -10.617
 RC180  Fr= 1--       0.449                 -0.390                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.06     0.10   0.08   0.00     0.02   0.01   0.02
     2   6     0.01  -0.01  -0.04    -0.07   0.03  -0.01    -0.05   0.00   0.02
     3   6    -0.01   0.03   0.09     0.04  -0.04   0.00     0.02   0.01  -0.03
     4   6    -0.00   0.00  -0.05    -0.02  -0.03   0.01    -0.02   0.00   0.01
     5   6    -0.01   0.00   0.03     0.01  -0.05   0.00     0.02   0.00  -0.00
     6   6     0.01  -0.01  -0.10     0.01  -0.09   0.02    -0.01  -0.01  -0.03
     7   6    -0.01  -0.01   0.00    -0.18  -0.00   0.06    -0.04   0.06   0.08
     8   6     0.02   0.01   0.00     0.07   0.08   0.19    -0.13   0.17  -0.11
     9   8     0.01   0.00  -0.01     0.02   0.03  -0.08    -0.06  -0.06   0.11
    10   6    -0.01  -0.01   0.03    -0.01   0.08  -0.01     0.15  -0.10   0.03
    11   1     0.03  -0.08  -0.41     0.15   0.02  -0.04     0.08  -0.06  -0.09
    12   1    -0.01   0.05   0.29    -0.09  -0.02  -0.03    -0.05  -0.06  -0.16
    13   1     0.05  -0.08  -0.53    -0.04  -0.05   0.02     0.01   0.05   0.18
    14   1    -0.05   0.11   0.60     0.12  -0.07   0.04    -0.01   0.03   0.16
    15   1    -0.07   0.03   0.03    -0.38  -0.21  -0.11     0.10   0.32   0.28
    16   6    -0.00  -0.01   0.01    -0.00  -0.08  -0.13     0.05  -0.09  -0.09
    17   1    -0.02   0.02  -0.01     0.47   0.28   0.19     0.19   0.17  -0.03
    18   1     0.02   0.02   0.04    -0.01  -0.13  -0.14    -0.18   0.02  -0.35
    19   1     0.02   0.08  -0.04     0.02   0.04   0.01     0.15   0.00  -0.04
    20   1    -0.06  -0.11  -0.04    -0.09   0.11   0.02     0.28  -0.18  -0.05
    21   1    -0.03   0.05   0.05     0.13  -0.12  -0.16    -0.05   0.09   0.05
    22   1     0.01   0.01  -0.05     0.01   0.04   0.11     0.10  -0.06  -0.30
    23   1     0.01  -0.00  -0.05     0.17  -0.19  -0.21     0.04  -0.03  -0.26
                     22                     23                     24
                      A                      A                      A
 Frequencies --    941.7504               964.2064               977.4966
 Red. masses --      1.3896                 1.2465                 1.6451
 Frc consts  --      0.7261                 0.6828                 0.9261
 IR Inten    --      2.5474                 0.0874                11.6532
 RamAct Fr= 1--      0.6981                 0.0883                 1.4506
  Dep-P Fr= 1--      0.7077                 0.5362                 0.7301
  Dep-U Fr= 1--      0.8288                 0.6981                 0.8440
 Alpha2 Fr= 1--      0.0005                 0.0004                 0.0005
 Beta2  Fr= 1--      0.0964                 0.0103                 0.2040
 AlphaG Fr= 1--     -0.0004                -0.0033                 0.0073
 Gamma2 Fr= 1--      0.8350                -0.2784                 0.6353
 Delta2 Fr= 1--     -0.0728                 0.2112                 0.1849
 Raman1 Fr= 1--       2.792                  0.353                  5.802
 ROA1   Fr= 1--      77.833                -19.967                 66.906
 CID1   Fr= 1--      27.874                -56.549                 11.531
 Raman2 Fr= 1--       1.157                  0.123                  2.449
 ROA2   Fr= 1--      20.624                 -8.371                 13.769
 CID2   Fr= 1--      17.822                -67.925                  5.623
 Raman3 Fr= 1--       2.314                  0.246                  4.897
 ROA3   Fr= 1--      77.833                -19.967                 66.906
 CID3   Fr= 1--      33.629                -81.009                 13.663
 RC180  Fr= 1--       0.658                  0.396                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.05     0.01  -0.02  -0.09     0.01   0.01  -0.00
     2   6     0.01   0.01   0.08    -0.01   0.02   0.08    -0.03   0.01  -0.01
     3   6     0.00  -0.01  -0.10    -0.00   0.01   0.06     0.00  -0.03   0.00
     4   6     0.00   0.01   0.04    -0.00   0.00   0.01    -0.01   0.01   0.01
     5   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.01     0.02  -0.01  -0.04
     6   6     0.01  -0.01  -0.09     0.00  -0.01  -0.04     0.00  -0.02   0.03
     7   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.03  -0.03  -0.06
     8   6     0.02  -0.03   0.00     0.01   0.01   0.00     0.13   0.07  -0.05
     9   8     0.01   0.01  -0.02    -0.00  -0.00   0.00    -0.05  -0.03   0.04
    10   6    -0.03   0.01   0.02     0.00   0.00  -0.01     0.04   0.00   0.05
    11   1     0.01  -0.05  -0.27    -0.04   0.11   0.61     0.01   0.01  -0.00
    12   1     0.05  -0.09  -0.48     0.04  -0.10  -0.53    -0.03   0.02   0.02
    13   1    -0.03   0.11   0.54     0.03  -0.08  -0.43    -0.01  -0.03   0.02
    14   1    -0.04   0.10   0.53    -0.02   0.05   0.31     0.03  -0.03  -0.10
    15   1     0.04  -0.06  -0.05    -0.00   0.00   0.00    -0.07   0.03  -0.01
    16   6    -0.01   0.01   0.00    -0.01  -0.00   0.00    -0.11  -0.02   0.03
    17   1    -0.07  -0.03  -0.02    -0.00   0.00   0.00    -0.27  -0.02  -0.10
    18   1     0.03   0.00   0.09     0.01   0.02   0.00     0.23   0.39   0.25
    19   1    -0.02   0.07  -0.03    -0.01  -0.01   0.01     0.03   0.16  -0.06
    20   1    -0.07  -0.06  -0.03     0.02   0.01   0.00     0.12  -0.15  -0.08
    21   1     0.04  -0.03  -0.03     0.00   0.01   0.01     0.11   0.14   0.17
    22   1    -0.02   0.03   0.10    -0.00   0.01   0.02    -0.01   0.31   0.33
    23   1     0.02  -0.02   0.03     0.02  -0.01  -0.02     0.25  -0.19  -0.36
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1024.0376              1037.8521              1063.5107
 Red. masses --      2.0015                 1.8237                 2.4345
 Frc consts  --      1.2366                 1.1574                 1.6224
 IR Inten    --     15.0341                 2.5286                 8.1768
 RamAct Fr= 1--      3.2454                 1.3288                43.5066
  Dep-P Fr= 1--      0.4719                 0.3136                 0.0440
  Dep-U Fr= 1--      0.6412                 0.4775                 0.0844
 Alpha2 Fr= 1--      0.0182                 0.0131                 0.8716
 Beta2  Fr= 1--      0.3468                 0.1057                 0.6118
 AlphaG Fr= 1--      0.0437                 0.0011                -0.0613
 Gamma2 Fr= 1--      1.4188                -0.3562                 1.1852
 Delta2 Fr= 1--      0.4243                -0.0436                 0.7802
 Raman1 Fr= 1--      12.982                  5.315                174.027
 ROA1   Fr= 1--     149.779                -35.591                138.745
 CID1   Fr= 1--      11.538                 -6.696                  0.797
 Raman2 Fr= 1--       4.162                  1.269                  7.342
 ROA2   Fr= 1--      30.657                 -8.200                 22.203
 CID2   Fr= 1--       7.366                 -6.462                  3.024
 Raman3 Fr= 1--       8.323                  2.538                 14.683
 ROA3   Fr= 1--     149.779                -35.591                138.745
 CID3   Fr= 1--      17.995                -14.024                  9.449
 RC180  Fr= 1--       0.282                 -0.045                 -0.831
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.01  -0.04  -0.00     0.11   0.17  -0.02
     2   6     0.00   0.02  -0.00     0.01  -0.02   0.00     0.17  -0.12   0.03
     3   6     0.00  -0.03   0.00    -0.01   0.07   0.00    -0.10   0.09  -0.02
     4   6    -0.03   0.04   0.03     0.02  -0.03   0.00    -0.03  -0.03  -0.00
     5   6    -0.01  -0.03  -0.09     0.02  -0.04  -0.10    -0.05   0.01  -0.00
     6   6     0.01  -0.05   0.04    -0.02   0.09   0.02    -0.06  -0.11   0.02
     7   6    -0.00   0.14   0.02    -0.01  -0.07   0.05     0.00  -0.01   0.00
     8   6     0.02  -0.09  -0.01    -0.04   0.03  -0.01     0.01   0.03  -0.03
     9   8     0.05  -0.04  -0.04     0.02   0.02  -0.04     0.03  -0.03   0.02
    10   6    -0.09   0.07   0.12     0.03  -0.02   0.16    -0.02   0.02   0.00
    11   1    -0.03   0.08   0.04     0.05  -0.10   0.07    -0.03   0.35  -0.07
    12   1     0.04   0.08  -0.05    -0.03  -0.13   0.00     0.10  -0.34   0.07
    13   1     0.03  -0.03  -0.02     0.01   0.05  -0.11    -0.54   0.02  -0.04
    14   1     0.06  -0.07  -0.08    -0.03   0.06  -0.15    -0.50  -0.21  -0.00
    15   1    -0.07   0.42   0.25     0.14  -0.27  -0.13     0.11  -0.01  -0.00
    16   6     0.06  -0.07  -0.03    -0.00   0.05  -0.03     0.00   0.01  -0.00
    17   1    -0.16  -0.07  -0.06     0.09   0.17  -0.04    -0.01   0.03  -0.03
    18   1    -0.01  -0.24   0.26    -0.07  -0.07  -0.07     0.01   0.01   0.02
    19   1    -0.08   0.36  -0.10     0.05   0.44  -0.17     0.02   0.02   0.00
    20   1    -0.15  -0.26  -0.13    -0.12  -0.49  -0.18     0.08   0.02  -0.01
    21   1    -0.11   0.15   0.14     0.10  -0.19  -0.21     0.01  -0.02  -0.02
    22   1     0.11  -0.06  -0.35    -0.08  -0.05   0.19    -0.01  -0.01   0.02
    23   1    -0.03   0.05  -0.17    -0.02  -0.01   0.20    -0.01   0.00   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1088.8058              1131.5103              1144.2251
 Red. masses --      2.1825                 2.1641                 3.4227
 Frc consts  --      1.5244                 1.6325                 2.6402
 IR Inten    --     10.3766                 6.5338                61.9838
 RamAct Fr= 1--      9.1895                 3.2953                 2.1068
  Dep-P Fr= 1--      0.1406                 0.5185                 0.2645
  Dep-U Fr= 1--      0.2465                 0.6829                 0.4184
 Alpha2 Fr= 1--      0.1455                 0.0149                 0.0240
 Beta2  Fr= 1--      0.3775                 0.3751                 0.1469
 AlphaG Fr= 1--      0.0117                 0.0310                -0.0469
 Gamma2 Fr= 1--     -1.0383                 0.6025                -0.2550
 Delta2 Fr= 1--      0.2486                -0.4672                 0.6413
 Raman1 Fr= 1--      36.758                 13.181                  8.427
 ROA1   Fr= 1--     -91.718                 42.892                 -3.952
 CID1   Fr= 1--      -2.495                  3.254                 -0.469
 Raman2 Fr= 1--       4.530                  4.501                  1.763
 ROA2   Fr= 1--     -26.908                 18.199                -11.250
 CID2   Fr= 1--      -5.939                  4.043                 -6.381
 Raman3 Fr= 1--       9.061                  9.002                  3.526
 ROA3   Fr= 1--     -91.718                 42.892                 -3.952
 CID3   Fr= 1--     -10.122                  4.765                 -1.121
 RC180  Fr= 1--      -0.507                  0.366                 -0.163
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.04   0.00    -0.00   0.04  -0.01    -0.01  -0.03   0.00
     2   6     0.03  -0.01   0.00    -0.01   0.05  -0.01     0.01   0.01   0.00
     3   6     0.01   0.04   0.01     0.05  -0.09   0.03     0.02   0.04  -0.02
     4   6     0.10  -0.07  -0.05    -0.05   0.07  -0.05    -0.03  -0.03   0.05
     5   6    -0.04  -0.02   0.03    -0.01   0.08   0.01    -0.07  -0.05   0.00
     6   6    -0.00   0.06  -0.01     0.00  -0.11   0.02     0.04   0.02  -0.00
     7   6     0.04   0.06   0.08    -0.02  -0.04   0.17    -0.07  -0.11  -0.12
     8   6    -0.04   0.03  -0.02     0.02  -0.01  -0.12     0.02   0.20  -0.10
     9   8     0.08  -0.09   0.03     0.02  -0.02   0.05     0.13  -0.16   0.08
    10   6    -0.12   0.08  -0.03    -0.05  -0.02  -0.00    -0.16   0.12   0.01
    11   1    -0.05  -0.06  -0.02    -0.18   0.23  -0.06     0.08  -0.13   0.03
    12   1     0.04   0.04   0.02     0.10   0.37  -0.05     0.03   0.06  -0.01
    13   1     0.01   0.03  -0.04     0.32  -0.05  -0.00     0.17   0.08   0.04
    14   1     0.03   0.07  -0.02    -0.12  -0.14   0.01     0.31   0.07   0.02
    15   1     0.44   0.17   0.16     0.01  -0.18   0.05    -0.29  -0.24  -0.23
    16   6    -0.10  -0.02  -0.08     0.03   0.06  -0.08     0.06   0.02   0.09
    17   1     0.08  -0.00   0.03    -0.19   0.16  -0.22     0.12   0.26  -0.09
    18   1    -0.11  -0.26   0.00     0.07   0.11   0.18    -0.01   0.02  -0.02
    19   1    -0.04  -0.06   0.06    -0.08  -0.04   0.01    -0.06   0.04   0.04
    20   1     0.02   0.19   0.04     0.09  -0.01  -0.00     0.20   0.12  -0.03
    21   1     0.25  -0.04  -0.08     0.12  -0.28  -0.34    -0.23   0.06   0.11
    22   1    -0.05   0.24   0.40    -0.08  -0.13   0.12     0.04  -0.17  -0.28
    23   1     0.25  -0.25  -0.27    -0.02  -0.02   0.25    -0.20   0.20   0.18
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1157.1200              1186.3515              1217.2456
 Red. masses --      1.6455                 1.1203                 1.9545
 Frc consts  --      1.2981                 0.9290                 1.7063
 IR Inten    --      2.5336                 0.3320                 1.2603
 RamAct Fr= 1--      2.0168                 4.9056                11.0842
  Dep-P Fr= 1--      0.7461                 0.6361                 0.1259
  Dep-U Fr= 1--      0.8546                 0.7776                 0.2237
 Alpha2 Fr= 1--      0.0001                 0.0101                 0.1820
 Beta2  Fr= 1--      0.2873                 0.6357                 0.4132
 AlphaG Fr= 1--     -0.0000                -0.0164                -0.0650
 Gamma2 Fr= 1--      0.1709                -0.9261                -1.4020
 Delta2 Fr= 1--      0.0873                 0.0996                -1.2113
 Raman1 Fr= 1--       8.067                 19.622                 44.337
 ROA1   Fr= 1--      19.201                -85.719               -173.352
 CID1   Fr= 1--       2.380                 -4.368                 -3.910
 Raman2 Fr= 1--       3.447                  7.629                  4.958
 ROA2   Fr= 1--       3.404                -23.023                -23.957
 CID2   Fr= 1--       0.987                 -3.018                 -4.832
 Raman3 Fr= 1--       6.894                 15.257                  9.917
 ROA3   Fr= 1--      19.201                -85.719               -173.352
 CID3   Fr= 1--       2.785                 -5.618                -17.481
 RC180  Fr= 1--       0.709                  0.555                 -0.553
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.01     0.04  -0.04   0.01    -0.07  -0.03   0.00
     2   6    -0.02  -0.03   0.00     0.02   0.06  -0.01     0.03   0.00   0.00
     3   6    -0.06   0.06  -0.01    -0.03  -0.01   0.00     0.02  -0.01  -0.00
     4   6    -0.05  -0.03  -0.02     0.01  -0.00   0.00     0.22  -0.03   0.05
     5   6     0.01  -0.03   0.03     0.01   0.01   0.00     0.02  -0.07   0.02
     6   6     0.05   0.06  -0.01    -0.03   0.00  -0.00    -0.07   0.05  -0.02
     7   6    -0.05   0.04   0.09    -0.01   0.00  -0.00    -0.05   0.05   0.02
     8   6     0.07  -0.06  -0.06     0.00   0.00  -0.01     0.01  -0.02  -0.04
     9   8    -0.03   0.00   0.02     0.00  -0.00   0.00    -0.02   0.01   0.01
    10   6     0.01   0.03  -0.03    -0.01  -0.00   0.00     0.03   0.01  -0.00
    11   1     0.31  -0.32   0.08     0.39  -0.45   0.11    -0.31   0.23  -0.06
    12   1    -0.15  -0.37   0.06     0.20   0.55  -0.08     0.02  -0.04   0.01
    13   1    -0.28   0.02  -0.04    -0.37  -0.08  -0.01    -0.20  -0.06  -0.00
    14   1     0.40   0.13   0.01    -0.35  -0.06  -0.01    -0.23   0.02  -0.02
    15   1    -0.09   0.07   0.12    -0.04  -0.01  -0.01    -0.77   0.01   0.01
    16   6     0.04   0.02  -0.06     0.00   0.00  -0.00     0.02   0.00  -0.03
    17   1    -0.23   0.01  -0.14    -0.00   0.01  -0.01    -0.10   0.10  -0.11
    18   1     0.13   0.08   0.25    -0.00  -0.00   0.00     0.02   0.01   0.07
    19   1    -0.11  -0.05   0.03    -0.02  -0.00   0.00    -0.06  -0.00   0.01
    20   1     0.12   0.12   0.01    -0.00   0.00   0.00     0.15   0.03  -0.01
    21   1     0.04  -0.14  -0.18    -0.01   0.00   0.00    -0.02  -0.03  -0.06
    22   1    -0.02  -0.10  -0.02     0.00  -0.00  -0.01     0.00  -0.02  -0.01
    23   1    -0.03   0.02   0.12    -0.01   0.00   0.01    -0.04   0.03   0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1228.9168              1254.4697              1286.4224
 Red. masses --      2.9533                 1.1474                 1.5934
 Frc consts  --      2.6279                 1.0638                 1.5536
 IR Inten    --     10.0118                 8.6617                 4.6922
 RamAct Fr= 1--     19.7356                 3.4904                 4.8314
  Dep-P Fr= 1--      0.1022                 0.4660                 0.2577
  Dep-U Fr= 1--      0.1855                 0.6357                 0.4098
 Alpha2 Fr= 1--      0.3437                 0.0200                 0.0560
 Beta2  Fr= 1--      0.6101                 0.3698                 0.3300
 AlphaG Fr= 1--      0.0181                 0.0410                 0.0321
 Gamma2 Fr= 1--     -1.2110                -0.3196                 2.3976
 Delta2 Fr= 1--     -0.7425                -1.8437                -1.2870
 Raman1 Fr= 1--      78.943                 13.962                 19.326
 ROA1   Fr= 1--    -140.015                -89.679                188.986
 CID1   Fr= 1--      -1.774                 -6.423                  9.779
 Raman2 Fr= 1--       7.321                  4.438                  3.960
 ROA2   Fr= 1--     -23.124                  7.079                 67.838
 CID2   Fr= 1--      -3.159                  1.595                 17.131
 Raman3 Fr= 1--      14.642                  8.876                  7.920
 ROA3   Fr= 1--    -140.015                -89.679                188.986
 CID3   Fr= 1--      -9.563                -10.104                 23.863
 RC180  Fr= 1--      -0.629                  0.271                 -0.180
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
     2   6    -0.11  -0.00  -0.01     0.01   0.00   0.00     0.02  -0.02   0.01
     3   6    -0.05  -0.11   0.02    -0.01  -0.00  -0.00    -0.01  -0.04   0.01
     4   6     0.06   0.09  -0.01    -0.01   0.03   0.00     0.02   0.10  -0.01
     5   6     0.26   0.18  -0.01    -0.03  -0.03  -0.03    -0.11   0.05  -0.01
     6   6     0.04   0.03  -0.00    -0.01  -0.01   0.01     0.01  -0.05   0.01
     7   6     0.01  -0.02  -0.01     0.03  -0.00   0.03     0.10  -0.01   0.01
     8   6    -0.03   0.05  -0.03    -0.03   0.01  -0.01    -0.07  -0.01   0.00
     9   8     0.06  -0.06   0.03     0.04  -0.02   0.02     0.02   0.02  -0.03
    10   6    -0.14  -0.06   0.01    -0.01   0.02  -0.01    -0.00  -0.03   0.03
    11   1    -0.02   0.04  -0.01     0.01  -0.01   0.01    -0.04   0.03  -0.01
    12   1    -0.29  -0.46   0.07     0.02   0.01  -0.01     0.06   0.09  -0.01
    13   1    -0.48  -0.20   0.01    -0.07  -0.01  -0.01    -0.49  -0.13  -0.00
    14   1    -0.14   0.01  -0.00     0.13   0.01   0.00     0.61   0.06   0.03
    15   1    -0.04  -0.04  -0.04    -0.27   0.06   0.09    -0.20  -0.15  -0.10
    16   6    -0.01   0.00   0.01    -0.00   0.02  -0.02    -0.03  -0.01  -0.00
    17   1     0.07   0.08  -0.01    -0.03  -0.37   0.14     0.08   0.12  -0.02
    18   1    -0.06  -0.06  -0.04     0.06   0.41  -0.22    -0.07  -0.02  -0.12
    19   1    -0.18  -0.11   0.02     0.54  -0.00  -0.01    -0.11   0.04  -0.02
    20   1    -0.39  -0.09   0.03    -0.45   0.01   0.03     0.37  -0.07  -0.04
    21   1     0.00   0.01   0.02     0.05  -0.05  -0.08     0.07   0.05   0.06
    22   1     0.00   0.02   0.02    -0.02  -0.01   0.04     0.00   0.09   0.07
    23   1     0.00  -0.00  -0.01     0.02  -0.02   0.05     0.04  -0.06  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1310.0657              1332.4839              1348.4035
 Red. masses --      1.4228                 2.3005                 1.5786
 Frc consts  --      1.4387                 2.4066                 1.6910
 IR Inten    --      3.2855                 0.5223                 3.7080
 RamAct Fr= 1--      6.4511                10.8827                10.0270
  Dep-P Fr= 1--      0.2030                 0.2852                 0.4301
  Dep-U Fr= 1--      0.3374                 0.4439                 0.6015
 Alpha2 Fr= 1--      0.0869                 0.1166                 0.0665
 Beta2  Fr= 1--      0.3628                 0.8051                 1.0052
 AlphaG Fr= 1--      0.0852                -0.1082                -0.1150
 Gamma2 Fr= 1--     -1.3225                -1.2460                -0.3729
 Delta2 Fr= 1--      1.5214                 1.4521                -1.9091
 Raman1 Fr= 1--      25.804                 43.531                 40.108
 ROA1   Fr= 1--     -78.278                -73.148                -96.888
 CID1   Fr= 1--      -3.034                 -1.680                 -2.416
 Raman2 Fr= 1--       4.354                  9.661                 12.062
 ROA2   Fr= 1--     -43.913                -41.520                  6.323
 CID2   Fr= 1--     -10.086                 -4.298                  0.524
 Raman3 Fr= 1--       8.708                 19.322                 24.124
 ROA3   Fr= 1--     -78.278                -73.148                -96.888
 CID3   Fr= 1--      -8.990                 -3.786                 -4.016
 RC180  Fr= 1--      -0.325                 -0.112                  0.203
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.01    -0.08   0.07  -0.02     0.04  -0.04   0.01
     2   6    -0.01  -0.05   0.01    -0.05  -0.10   0.02     0.02   0.04  -0.01
     3   6     0.06  -0.00   0.01     0.12   0.00   0.00    -0.05  -0.01  -0.00
     4   6     0.04  -0.04   0.00     0.02  -0.11   0.03     0.00   0.07   0.01
     5   6    -0.05   0.07  -0.04    -0.05   0.14  -0.02     0.01  -0.04  -0.00
     6   6     0.04   0.00   0.01     0.10   0.03   0.00    -0.06  -0.02  -0.00
     7   6    -0.05   0.04   0.00    -0.07  -0.08  -0.04     0.03  -0.13  -0.08
     8   6     0.05  -0.01  -0.02     0.02   0.04   0.04     0.03   0.02   0.02
     9   8    -0.05   0.03   0.05     0.01   0.02  -0.05    -0.04   0.01   0.03
    10   6    -0.01  -0.03  -0.03    -0.05  -0.05   0.03     0.02   0.01  -0.02
    11   1    -0.03   0.00  -0.00     0.02  -0.05   0.01    -0.05   0.06  -0.01
    12   1     0.04   0.10  -0.02     0.04   0.15  -0.02     0.01   0.00   0.00
    13   1    -0.22  -0.06  -0.01    -0.24  -0.07   0.01    -0.01   0.00   0.01
    14   1     0.11   0.02   0.00    -0.05   0.00  -0.01     0.16   0.02   0.01
    15   1     0.17  -0.20  -0.20    -0.07   0.48   0.43    -0.05   0.51   0.45
    16   6     0.01  -0.03   0.02     0.02   0.05  -0.03    -0.01   0.06  -0.02
    17   1    -0.04   0.26  -0.14    -0.03  -0.38   0.19     0.12   0.34  -0.08
    18   1    -0.03  -0.34   0.24     0.03   0.07  -0.06    -0.07  -0.40   0.17
    19   1     0.65  -0.00  -0.04    -0.03   0.04  -0.04     0.18   0.00  -0.01
    20   1    -0.26   0.04   0.04     0.32  -0.06  -0.02    -0.15   0.05   0.03
    21   1    -0.05   0.06   0.08    -0.02  -0.09  -0.14     0.03  -0.07  -0.11
    22   1     0.04   0.01  -0.06    -0.06  -0.09   0.07    -0.09  -0.07   0.12
    23   1    -0.04   0.03  -0.05    -0.03   0.03   0.14     0.04  -0.03   0.14
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1359.6073              1382.8457              1403.0985
 Red. masses --      1.8434                 1.2976                 1.2715
 Frc consts  --      2.0076                 1.4619                 1.4749
 IR Inten    --      2.6903                 3.4691                 7.5370
 RamAct Fr= 1--      3.3123                 0.4868                 1.5227
  Dep-P Fr= 1--      0.0669                 0.4407                 0.2544
  Dep-U Fr= 1--      0.1254                 0.6118                 0.4056
 Alpha2 Fr= 1--      0.0628                 0.0031                 0.0178
 Beta2  Fr= 1--      0.0692                 0.0496                 0.1029
 AlphaG Fr= 1--      0.0693                 0.0062                -0.0179
 Gamma2 Fr= 1--      0.3957                -0.1283                 0.1281
 Delta2 Fr= 1--      0.8753                -0.2052                -0.0816
 Raman1 Fr= 1--      13.249                  1.947                  6.091
 ROA1   Fr= 1--      65.995                -18.884                  9.688
 CID1   Fr= 1--       4.981                 -9.698                  1.591
 Raman2 Fr= 1--       0.830                  0.596                  1.235
 ROA2   Fr= 1--       2.494                 -1.437                  3.728
 CID2   Fr= 1--       3.003                 -2.413                  3.018
 Raman3 Fr= 1--       1.661                  1.191                  2.471
 ROA3   Fr= 1--      65.995                -18.884                  9.688
 CID3   Fr= 1--      39.734                -15.852                  3.921
 RC180  Fr= 1--      -0.749                  0.224                 -0.189
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.08   0.02     0.02  -0.00   0.00     0.01  -0.00   0.00
     2   6     0.02   0.04  -0.01     0.01   0.04  -0.01     0.01   0.03  -0.00
     3   6    -0.02  -0.01   0.00    -0.05  -0.01  -0.00    -0.03  -0.01   0.00
     4   6     0.10   0.08  -0.02    -0.01   0.01   0.00     0.01   0.00  -0.00
     5   6     0.01  -0.03   0.01     0.04  -0.01   0.00     0.02  -0.00   0.00
     6   6    -0.09  -0.02  -0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.00
     7   6    -0.17  -0.02   0.01     0.04  -0.00   0.03    -0.02   0.01  -0.01
     8   6     0.05   0.05   0.02     0.02   0.07  -0.01    -0.02  -0.04   0.01
     9   8    -0.00  -0.00  -0.03    -0.02   0.03  -0.02     0.01   0.02  -0.00
    10   6     0.00  -0.00   0.01    -0.08  -0.04   0.01    -0.07  -0.03   0.01
    11   1    -0.21   0.20  -0.06     0.08  -0.07   0.02     0.04  -0.04   0.01
    12   1     0.04   0.09  -0.01    -0.06  -0.14   0.02    -0.04  -0.10   0.01
    13   1    -0.24  -0.05  -0.01     0.18   0.03   0.01     0.11   0.02  -0.00
    14   1     0.29   0.05   0.01    -0.09  -0.03  -0.00    -0.05  -0.02  -0.00
    15   1     0.62  -0.03  -0.02    -0.19  -0.12  -0.06     0.08   0.06   0.03
    16   6     0.05   0.00   0.01    -0.02   0.02   0.02     0.04  -0.05  -0.09
    17   1    -0.13  -0.42   0.16    -0.14  -0.40   0.13     0.09   0.13  -0.02
    18   1     0.05   0.07  -0.01    -0.11  -0.42   0.07     0.05   0.21  -0.01
    19   1    -0.02   0.00  -0.00     0.40   0.06  -0.06     0.28   0.08  -0.06
    20   1     0.09  -0.00  -0.00     0.48   0.05  -0.00     0.32   0.06   0.02
    21   1    -0.17  -0.04  -0.03     0.07  -0.09  -0.06    -0.16   0.37   0.26
    22   1     0.00  -0.12  -0.07    -0.01  -0.05  -0.11     0.02   0.14   0.43
    23   1    -0.06   0.09  -0.01     0.10  -0.05  -0.08    -0.28   0.08   0.37
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1421.1794              1486.7781              1490.0524
 Red. masses --      1.3198                 1.6298                 1.1659
 Frc consts  --      1.5706                 2.1227                 1.5252
 IR Inten    --      9.9674                 9.4606                 1.4798
 RamAct Fr= 1--      3.7112                 3.2818                12.4881
  Dep-P Fr= 1--      0.5507                 0.5540                 0.6721
  Dep-U Fr= 1--      0.7102                 0.7130                 0.8039
 Alpha2 Fr= 1--      0.0141                 0.0123                 0.0172
 Beta2  Fr= 1--      0.4393                 0.3900                 1.6731
 AlphaG Fr= 1--     -0.0365                -0.0053                 0.0333
 Gamma2 Fr= 1--     -0.2265                -0.3271                 0.0342
 Delta2 Fr= 1--      0.1179                 1.7888                 0.0857
 Raman1 Fr= 1--      14.845                 13.127                 49.952
 ROA1   Fr= 1--     -17.967                 25.837                  6.023
 CID1   Fr= 1--      -1.210                  1.968                  0.121
 Raman2 Fr= 1--       5.272                  4.680                 20.078
 ROA2   Fr= 1--      -6.378                -22.162                  0.135
 CID2   Fr= 1--      -1.210                 -4.736                  0.007
 Raman3 Fr= 1--      10.543                  9.360                 40.155
 ROA3   Fr= 1--     -17.967                 25.837                  6.023
 CID3   Fr= 1--      -1.704                  2.760                  0.150
 RC180  Fr= 1--       0.420                  0.426                  0.608
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.00     0.10  -0.05   0.02    -0.04   0.03  -0.01
     2   6     0.01   0.02  -0.00    -0.07  -0.08   0.01     0.03   0.03  -0.00
     3   6    -0.01  -0.00   0.00     0.01   0.07  -0.01    -0.01  -0.03   0.00
     4   6     0.03  -0.00   0.00    -0.08  -0.06   0.01     0.03   0.01   0.00
     5   6     0.02  -0.01  -0.00     0.09  -0.01   0.01    -0.04   0.02  -0.01
     6   6    -0.01  -0.00  -0.00    -0.04   0.05  -0.01     0.00  -0.03   0.00
     7   6    -0.03   0.01  -0.03     0.02   0.02   0.00    -0.01   0.01   0.00
     8   6    -0.03  -0.09   0.03     0.00   0.00  -0.01     0.03   0.01   0.02
     9   8     0.02   0.02   0.00     0.00  -0.01   0.00     0.01  -0.01   0.01
    10   6    -0.08  -0.03   0.01    -0.02  -0.05  -0.00     0.02  -0.05   0.00
    11   1     0.01  -0.02   0.00    -0.24   0.34  -0.08     0.11  -0.14   0.03
    12   1    -0.03  -0.07   0.01     0.10   0.40  -0.07    -0.03  -0.15   0.02
    13   1     0.02   0.00   0.00    -0.09   0.06  -0.02     0.07  -0.01   0.01
    14   1    -0.05  -0.01  -0.00     0.11   0.09  -0.01     0.01  -0.03   0.01
    15   1     0.16   0.11   0.05    -0.09  -0.01  -0.02     0.01  -0.02  -0.02
    16   6    -0.02   0.03   0.07    -0.02  -0.01  -0.01     0.01   0.02  -0.01
    17   1     0.14   0.39  -0.11    -0.01  -0.02  -0.00    -0.34   0.07  -0.09
    18   1     0.10   0.44  -0.11     0.00   0.01   0.00    -0.03  -0.08  -0.34
    19   1     0.28   0.11  -0.08    -0.04   0.37  -0.28    -0.14   0.37  -0.27
    20   1     0.31   0.09   0.04     0.02   0.37   0.30    -0.14   0.34   0.30
    21   1     0.08  -0.28  -0.19     0.22   0.07   0.07    -0.20   0.10   0.05
    22   1    -0.01  -0.09  -0.30     0.04   0.07  -0.12    -0.13  -0.28   0.10
    23   1     0.16  -0.02  -0.28    -0.00  -0.06   0.15     0.19  -0.13  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1493.8160              1504.3650              1506.9346
 Red. masses --      1.0923                 1.1050                 1.1550
 Frc consts  --      1.4361                 1.4734                 1.5453
 IR Inten    --      6.0169                 1.5069                 6.3065
 RamAct Fr= 1--      2.9031                 4.8050                 2.9380
  Dep-P Fr= 1--      0.7201                 0.7499                 0.3331
  Dep-U Fr= 1--      0.8373                 0.8571                 0.4997
 Alpha2 Fr= 1--      0.0015                 0.0000                 0.0272
 Beta2  Fr= 1--      0.4051                 0.6864                 0.2447
 AlphaG Fr= 1--      0.0131                -0.0008                -0.0200
 Gamma2 Fr= 1--     -1.8941                 0.4613                -0.9055
 Delta2 Fr= 1--     -1.0465                -1.0532                 0.7409
 Raman1 Fr= 1--      11.612                 19.220                 11.752
 ROA1   Fr= 1--    -215.324                 10.578                -63.223
 CID1   Fr= 1--     -18.543                  0.550                 -5.380
 Raman2 Fr= 1--       4.861                  8.236                  2.936
 ROA2   Fr= 1--     -37.086                 19.496                -27.660
 CID2   Fr= 1--      -7.629                  2.367                 -9.420
 Raman3 Fr= 1--       9.723                 16.473                  5.872
 ROA3   Fr= 1--    -215.324                 10.578                -63.223
 CID3   Fr= 1--     -22.146                  0.642                -10.766
 RC180  Fr= 1--       0.675                  0.714                 -0.001
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.00    -0.02   0.01  -0.00    -0.04   0.01  -0.00
     2   6     0.02   0.02  -0.00     0.02   0.03  -0.00     0.02   0.03  -0.00
     3   6    -0.01  -0.02   0.00     0.01  -0.01   0.00     0.02  -0.02   0.00
     4   6     0.02   0.01   0.00     0.02   0.01  -0.00     0.02   0.02  -0.00
     5   6    -0.02   0.01  -0.00    -0.02   0.00  -0.00    -0.03  -0.01  -0.00
     6   6    -0.01  -0.02   0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
     7   6     0.00  -0.02   0.01    -0.04  -0.02  -0.01    -0.02  -0.00  -0.00
     8   6    -0.01   0.01  -0.01     0.03   0.01   0.03    -0.04   0.01  -0.05
     9   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    10   6     0.02  -0.03   0.00     0.00   0.01   0.00     0.03  -0.03   0.00
    11   1     0.07  -0.09   0.02     0.04  -0.07   0.02     0.05  -0.10   0.02
    12   1    -0.01  -0.08   0.01    -0.03  -0.10   0.02    -0.04  -0.14   0.02
    13   1     0.06  -0.01  -0.00     0.00  -0.02  -0.00    -0.02  -0.03   0.00
    14   1     0.03  -0.01   0.01    -0.03  -0.02   0.00    -0.05  -0.03   0.00
    15   1    -0.03   0.02   0.05     0.08   0.03   0.03     0.05  -0.03  -0.03
    16   6     0.01  -0.04   0.02    -0.04  -0.02  -0.01    -0.02   0.01  -0.00
    17   1     0.09  -0.07   0.04    -0.28   0.06  -0.06     0.50  -0.17   0.14
    18   1    -0.01  -0.02   0.12    -0.01  -0.04  -0.28     0.03   0.12   0.53
    19   1    -0.09   0.22  -0.17    -0.00  -0.02   0.02    -0.08   0.17  -0.13
    20   1    -0.09   0.21   0.19    -0.01  -0.03  -0.02    -0.06   0.16   0.14
    21   1     0.00  -0.29  -0.21     0.61   0.08   0.10     0.21   0.14   0.12
    22   1     0.21   0.48   0.07     0.16   0.27  -0.38    -0.04  -0.14  -0.19
    23   1    -0.39   0.39  -0.22    -0.11  -0.05   0.38     0.15  -0.20   0.22
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1531.2893              1625.7984              1651.6722
 Red. masses --      2.3865                 6.4059                 5.7908
 Frc consts  --      3.2971                 9.9762                 9.3076
 IR Inten    --     15.9820                 2.1688                 1.3194
 RamAct Fr= 1--      0.8991                15.8503                28.3556
  Dep-P Fr= 1--      0.7387                 0.4927                 0.7290
  Dep-U Fr= 1--      0.8497                 0.6601                 0.8433
 Alpha2 Fr= 1--      0.0002                 0.0810                 0.0102
 Beta2  Fr= 1--      0.1273                 1.7439                 3.9853
 AlphaG Fr= 1--     -0.0054                -0.2286                -0.0084
 Gamma2 Fr= 1--     -0.4245                 2.7085                -2.0927
 Delta2 Fr= 1--      0.2442                -1.8611                 3.2521
 Raman1 Fr= 1--       3.596                 63.401                113.422
 ROA1   Fr= 1--     -32.934                200.460                -96.830
 CID1   Fr= 1--      -9.157                  3.162                 -0.854
 Raman2 Fr= 1--       1.528                 20.927                 47.824
 ROA2   Fr= 1--     -12.141                 79.892                -76.241
 CID2   Fr= 1--      -7.946                  3.818                 -1.594
 Raman3 Fr= 1--       3.056                 41.854                 95.648
 ROA3   Fr= 1--     -32.934                200.460                -96.830
 CID3   Fr= 1--     -10.777                  4.790                 -1.012
 RC180  Fr= 1--       0.699                  0.320                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11   0.02     0.15  -0.29   0.06    -0.21   0.05  -0.02
     2   6    -0.05   0.09  -0.02     0.03   0.33  -0.06     0.18   0.12  -0.01
     3   6     0.16   0.04   0.00    -0.03   0.15  -0.03     0.33   0.04   0.01
     4   6    -0.11   0.11  -0.03    -0.00  -0.32   0.06    -0.21  -0.08   0.00
     5   6    -0.05  -0.14   0.02    -0.11   0.30  -0.06     0.23   0.00   0.02
     6   6     0.16   0.02   0.01     0.02  -0.15   0.03    -0.33  -0.08  -0.01
     7   6     0.02  -0.03   0.01     0.01   0.04  -0.01     0.03   0.01   0.00
     8   6     0.01   0.01   0.01     0.00  -0.01  -0.00     0.01   0.00   0.00
     9   8     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    10   6     0.00   0.02  -0.00     0.02  -0.03   0.01    -0.03   0.00  -0.00
    11   1    -0.25   0.14  -0.04    -0.33   0.24  -0.07     0.04  -0.27   0.05
    12   1    -0.18  -0.22   0.03    -0.22  -0.35   0.05     0.06  -0.26   0.05
    13   1    -0.54  -0.09  -0.02    -0.05   0.15  -0.03    -0.42  -0.10  -0.00
    14   1    -0.54  -0.12  -0.02     0.02  -0.16   0.03     0.45   0.07   0.02
    15   1     0.10  -0.02   0.01    -0.20   0.03   0.00    -0.07  -0.01  -0.01
    16   6     0.01  -0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00  -0.01
    17   1    -0.08   0.02  -0.02     0.01  -0.01  -0.00    -0.03  -0.00  -0.00
    18   1    -0.02  -0.06  -0.08     0.02   0.05   0.02     0.00  -0.02  -0.02
    19   1     0.07   0.11  -0.07    -0.11  -0.08   0.04     0.04  -0.04   0.03
    20   1     0.09   0.13   0.07    -0.16  -0.12  -0.04     0.07  -0.01  -0.03
    21   1    -0.08  -0.03  -0.03    -0.00  -0.01  -0.01    -0.03   0.01   0.00
    22   1     0.01   0.03   0.08    -0.01  -0.01   0.00    -0.00   0.01   0.05
    23   1    -0.05   0.06  -0.06     0.02  -0.01  -0.03    -0.01   0.01  -0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   2943.9015              2973.9070              3016.6346
 Red. masses --      1.0729                 1.0708                 1.0828
 Frc consts  --      5.4786                 5.5796                 5.8057
 IR Inten    --     53.9367                59.4086                33.5760
 RamAct Fr= 1--    182.3583               111.1412               116.0701
  Dep-P Fr= 1--      0.1873                 0.1948                 0.2057
  Dep-U Fr= 1--      0.3155                 0.3261                 0.3412
 Alpha2 Fr= 1--      2.5609                 1.5303                 1.5527
 Beta2  Fr= 1--      9.5880                 6.0399                 6.6000
 AlphaG Fr= 1--      2.7523                -0.2904                -2.2725
 Gamma2 Fr= 1--     10.3123                -9.5387               -10.5495
 Delta2 Fr= 1--      4.8489                -1.4921                -2.5202
 Raman1 Fr= 1--     729.433                444.565                464.280
 ROA1   Fr= 1--    1145.149               -963.456              -1093.398
 CID1   Fr= 1--       1.570                 -2.167                 -2.355
 Raman2 Fr= 1--     115.057                 72.479                 79.200
 ROA2   Fr= 1--     208.705               -216.991               -233.027
 CID2   Fr= 1--       1.814                 -2.994                 -2.942
 Raman3 Fr= 1--     230.113                144.958                158.400
 ROA3   Fr= 1--    1145.149               -963.456              -1093.398
 CID3   Fr= 1--       4.976                 -6.646                 -6.903
 RC180  Fr= 1--      -0.369                 -0.348                 -0.318
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.00  -0.01   0.01    -0.00   0.05  -0.06
     8   6     0.00   0.00   0.00     0.00  -0.03  -0.07     0.00  -0.00  -0.01
     9   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.05  -0.06     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
    14   1     0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00   0.00  -0.00    -0.01   0.10  -0.13     0.02  -0.62   0.75
    16   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    17   1     0.01  -0.03  -0.05    -0.19   0.33   0.88    -0.03   0.06   0.15
    18   1    -0.02   0.00   0.00     0.19  -0.06  -0.02     0.02  -0.00  -0.00
    19   1    -0.01   0.56   0.82    -0.01   0.03   0.04    -0.00   0.01   0.01
    20   1    -0.02   0.05  -0.11    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.00  -0.01   0.01     0.00   0.03  -0.04
    22   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.10   0.04  -0.02
    23   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.05   0.05   0.02
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3033.0658              3075.6648              3085.9820
 Red. masses --      1.0363                 1.0879                 1.0935
 Frc consts  --      5.6171                 6.0636                 6.1354
 IR Inten    --     31.9269                21.3002                27.4126
 RamAct Fr= 1--    213.3325               107.5212               129.3464
  Dep-P Fr= 1--      0.0425                 0.3408                 0.2384
  Dep-U Fr= 1--      0.0815                 0.5083                 0.3850
 Alpha2 Fr= 1--      4.2901                 0.9724                 1.5833
 Beta2  Fr= 1--      2.8966                 9.1089                 8.2998
 AlphaG Fr= 1--      0.3941                -1.6881                -0.2072
 Gamma2 Fr= 1--      1.1896                -3.6333                 2.0550
 Delta2 Fr= 1--      1.4780                -0.6635                 0.3514
 Raman1 Fr= 1--     853.330                430.085                517.386
 ROA1   Fr= 1--     161.500               -370.030                208.524
 CID1   Fr= 1--       0.189                 -0.860                  0.403
 Raman2 Fr= 1--      34.759                109.307                 99.597
 ROA2   Fr= 1--      16.727                -81.892                 46.508
 CID2   Fr= 1--       0.481                 -0.749                  0.467
 Raman3 Fr= 1--      69.517                218.613                199.195
 ROA3   Fr= 1--     161.500               -370.030                208.524
 CID3   Fr= 1--       2.323                 -1.693                  1.047
 RC180  Fr= 1--      -0.837                  0.017                 -0.230
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.08   0.03   0.02
     9   8     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00    -0.01   0.04  -0.07     0.00  -0.01   0.01
    11   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   1    -0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.01  -0.00
    14   1     0.00  -0.00   0.00    -0.00   0.02  -0.01     0.00  -0.01   0.00
    15   1     0.00  -0.05   0.06     0.00   0.00  -0.00    -0.00  -0.01   0.01
    16   6    -0.03   0.03   0.03     0.00   0.00   0.00     0.01   0.00   0.01
    17   1    -0.00   0.01   0.03     0.00  -0.01  -0.02     0.02  -0.06  -0.16
    18   1    -0.03   0.01   0.00     0.09  -0.02  -0.01     0.92  -0.25  -0.06
    19   1    -0.00   0.00   0.00     0.00   0.07   0.07     0.00  -0.00  -0.00
    20   1     0.00  -0.00   0.00     0.10  -0.59   0.79    -0.01   0.06  -0.08
    21   1     0.01   0.32  -0.38     0.00   0.00  -0.00     0.01   0.06  -0.07
    22   1     0.65  -0.27   0.11    -0.01   0.00  -0.00    -0.09   0.04  -0.02
    23   1    -0.32  -0.36  -0.11    -0.01  -0.01  -0.00    -0.08  -0.11  -0.03
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3096.2558              3111.1214              3153.7078
 Red. masses --      1.0997                 1.1022                 1.0870
 Frc consts  --      6.2116                 6.2858                 6.3697
 IR Inten    --     45.6651                16.4119                14.1620
 RamAct Fr= 1--    116.5037                32.1158                34.3664
  Dep-P Fr= 1--      0.6696                 0.7018                 0.4077
  Dep-U Fr= 1--      0.8021                 0.8248                 0.5792
 Alpha2 Fr= 1--      0.1663                 0.0269                 0.2476
 Beta2  Fr= 1--     15.5745                 4.4148                 3.3175
 AlphaG Fr= 1--     -0.0685                 0.0267                -0.0913
 Gamma2 Fr= 1--     -4.0880                 4.3953                -0.0626
 Delta2 Fr= 1--     -3.3231                 4.4234                 1.1713
 Raman1 Fr= 1--     466.015                128.463                137.466
 ROA1   Fr= 1--    -498.789                563.495                 31.476
 CID1   Fr= 1--      -1.070                  4.386                  0.229
 Raman2 Fr= 1--     186.894                 52.978                 39.810
 ROA2   Fr= 1--     -71.527                 70.099                -10.872
 CID2   Fr= 1--      -0.383                  1.323                 -0.273
 Raman3 Fr= 1--     373.788                105.955                 79.619
 ROA3   Fr= 1--    -498.789                563.495                 31.476
 CID3   Fr= 1--      -1.334                  5.318                  0.395
 RC180  Fr= 1--       0.604                  0.650                  0.158
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.01  -0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.03   0.01
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.07   0.01
     7   6    -0.00   0.00  -0.00     0.00   0.01  -0.01    -0.00  -0.00   0.00
     8   6    -0.02   0.01   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.15  -0.13   0.01
    12   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.30  -0.10   0.04
    13   1     0.00  -0.01   0.00    -0.00   0.02  -0.00    -0.06   0.32  -0.06
    14   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.16   0.83  -0.16
    15   1     0.00  -0.03   0.04     0.00  -0.06   0.07    -0.00   0.00  -0.00
    16   6    -0.08   0.00  -0.04     0.02   0.08  -0.04    -0.00  -0.00   0.00
    17   1     0.01  -0.01  -0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.18  -0.05  -0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    19   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    20   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.02
    21   1    -0.03  -0.23   0.26    -0.02  -0.50   0.61     0.00   0.00  -0.00
    22   1     0.60  -0.26   0.10     0.13  -0.03   0.01     0.00  -0.00   0.00
    23   1     0.38   0.48   0.14    -0.37  -0.43  -0.14     0.00   0.01   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3158.2020              3177.3846              3192.6550
 Red. masses --      1.0880                 1.0905                 1.0966
 Frc consts  --      6.3941                 6.4868                 6.5858
 IR Inten    --      2.6554                17.8085                20.1273
 RamAct Fr= 1--    126.8915                76.5986               262.5710
  Dep-P Fr= 1--      0.4315                 0.7499                 0.1239
  Dep-U Fr= 1--      0.6029                 0.8570                 0.2206
 Alpha2 Fr= 1--      0.8365                 0.0002                 4.3335
 Beta2  Fr= 1--     12.7498                10.9414                 9.6520
 AlphaG Fr= 1--      0.2444                -0.0025                 0.3304
 Gamma2 Fr= 1--      0.9838                 0.5381                 1.6825
 Delta2 Fr= 1--     -0.9106                -3.3134                 2.9150
 Raman1 Fr= 1--     507.566                306.395               1050.284
 ROA1   Fr= 1--      65.305                -54.371                254.800
 CID1   Fr= 1--       0.129                 -0.177                  0.243
 Raman2 Fr= 1--     152.998                131.297                115.824
 ROA2   Fr= 1--      30.895                 39.422                 17.060
 CID2   Fr= 1--       0.202                  0.300                  0.147
 Raman3 Fr= 1--     305.996                262.594                231.648
 ROA3   Fr= 1--      65.305                -54.371                254.800
 CID3   Fr= 1--       0.213                 -0.207                  1.100
 RC180  Fr= 1--       0.206                  0.714                 -0.559
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.00     0.04   0.03  -0.00    -0.05  -0.04   0.00
     2   6     0.00  -0.00   0.00    -0.05   0.02  -0.01    -0.06   0.02  -0.01
     3   6     0.01  -0.07   0.01    -0.01   0.03  -0.01     0.01  -0.02   0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.01   0.03  -0.01    -0.00   0.02  -0.00    -0.00   0.02  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     9   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   1    -0.23  -0.20   0.02    -0.48  -0.41   0.04     0.51   0.44  -0.05
    12   1    -0.03   0.01  -0.00     0.61  -0.21   0.08     0.64  -0.22   0.09
    13   1    -0.15   0.83  -0.16     0.06  -0.30   0.06    -0.04   0.18  -0.04
    14   1     0.07  -0.37   0.07     0.04  -0.25   0.05     0.03  -0.17   0.03
    15   1    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1     0.00   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    23   1     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Molecular mass:   148.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   911.056091791.251472470.69734
           X            0.99949  -0.03176   0.00283
           Y            0.03173   0.99945   0.00976
           Z           -0.00314  -0.00967   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09507     0.04835     0.03506
 Rotational constants (GHZ):           1.98093     1.00753     0.73046
 Zero-point vibrational energy     518297.9 (Joules/Mol)
                                  123.87617 (Kcal/Mol)
 Warning -- explicit consideration of  12 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    132.38   171.56   289.98   334.16   365.31
          (Kelvin)            464.60   514.00   554.85   634.34   678.14
                              755.33   797.15   894.76  1016.37  1057.94
                             1070.62  1109.84  1214.26  1262.88  1279.81
                             1346.04  1354.97  1387.28  1406.40  1473.36
                             1493.24  1530.15  1566.55  1627.99  1646.28
                             1664.84  1706.90  1751.34  1768.14  1804.90
                             1850.87  1884.89  1917.15  1940.05  1956.17
                             1989.61  2018.75  2044.76  2139.14  2143.85
                             2149.27  2164.45  2168.14  2203.18  2339.16
                             2376.39  4235.62  4278.79  4340.26  4363.91
                             4425.20  4440.04  4454.82  4476.21  4537.48
                             4543.95  4571.55  4593.52
 
 Zero-point correction=                           0.197409 (Hartree/Particle)
 Thermal correction to Energy=                    0.206472
 Thermal correction to Enthalpy=                  0.207416
 Thermal correction to Gibbs Free Energy=         0.163476
 Sum of electronic and zero-point Energies=           -463.529675
 Sum of electronic and thermal Energies=              -463.520613
 Sum of electronic and thermal Enthalpies=            -463.519668
 Sum of electronic and thermal Free Energies=         -463.563609
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  129.563             36.629             92.480
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.888
 Rotational               0.889              2.981             29.779
 Vibrational            127.786             30.667             21.813
 Vibration     1          0.602              1.955              3.617
 Vibration     2          0.609              1.933              3.113
 Vibration     3          0.638              1.838              2.119
 Vibration     4          0.653              1.792              1.861
 Vibration     5          0.665              1.756              1.703
 Vibration     6          0.708              1.630              1.295
 Vibration     7          0.732              1.560              1.134
 Vibration     8          0.754              1.501              1.017
 Vibration     9          0.801              1.381              0.824
 Vibration    10          0.828              1.314              0.734
 Vibration    11          0.880              1.195              0.599
 Vibration    12          0.909              1.131              0.536
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.640235D-75        -75.193660       -173.139801
 Total V=0       0.405704D+16         15.608209         35.939230
 Vib (Bot)       0.125747D-88        -88.900504       -204.700975
 Vib (Bot)    1  0.223392D+01          0.349067          0.803757
 Vib (Bot)    2  0.171415D+01          0.234050          0.538920
 Vib (Bot)    3  0.988725D+00         -0.004924         -0.011339
 Vib (Bot)    4  0.847206D+00         -0.072011         -0.165811
 Vib (Bot)    5  0.767262D+00         -0.115056         -0.264927
 Vib (Bot)    6  0.581121D+00         -0.235733         -0.542796
 Vib (Bot)    7  0.514003D+00         -0.289035         -0.665527
 Vib (Bot)    8  0.466986D+00         -0.330696         -0.761456
 Vib (Bot)    9  0.391819D+00         -0.406914         -0.936954
 Vib (Bot)   10  0.357463D+00         -0.446769         -1.028723
 Vib (Bot)   11  0.306059D+00         -0.514194         -1.183976
 Vib (Bot)   12  0.282145D+00         -0.549528         -1.265334
 Vib (V=0)       0.796830D+02          1.901366          4.378057
 Vib (V=0)    1  0.278919D+01          0.445478          1.025751
 Vib (V=0)    2  0.228559D+01          0.358998          0.826623
 Vib (V=0)    3  0.160796D+01          0.206275          0.474967
 Vib (V=0)    4  0.148375D+01          0.171360          0.394571
 Vib (V=0)    5  0.141580D+01          0.151002          0.347695
 Vib (V=0)    6  0.126662D+01          0.102645          0.236350
 Vib (V=0)    7  0.121708D+01          0.085318          0.196452
 Vib (V=0)    8  0.118416D+01          0.073411          0.169034
 Vib (V=0)    9  0.113523D+01          0.055085          0.126839
 Vib (V=0)   10  0.111464D+01          0.047134          0.108530
 Vib (V=0)   11  0.108624D+01          0.035924          0.082718
 Vib (V=0)   12  0.107411D+01          0.031050          0.071495
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.708333D+08          7.850237         18.075839
 Rotational      0.718797D+06          5.856606         13.485334
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333333 3322                                                 111111111111111111111111111                                         
   11111000 0099                                                 6655544444333332222111100009999 888 7777   6 5 5 44 33 3 222   1    
   97551987 3174                                                 5230099820864318521854386327643 974 7430   2 5 2 74 85 2 530   19   
   37841666 3744                                                 2617440713308206497674294847426 084 1456   2 4 5 11 67 3 422   92   
 
   XXXXXXXX XXXX                                                 XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX X X XXXX   X X X XX XX X XXX   XX   
   XX XXXXX XXXX                                                   XX X XXX     XXX   XXXX XX  X     XX X               X            
   XX XXXXX XXXX                                                   X    XX       XX   X XX XX  X     XX X                            
   XX XXXXX XXXX                                                   X                  X    XX  X     XX                              
   XX XXXXX XXXX                                                   X                  X    X   X     XX                              
   XX   XXX XXXX                                                                      X              XX                              
        XXX XXXX                                                                      X              XX                              
        XX  XXXX                                                                      X              XX                              
        XX  XXXX                                                                      X              XX                              
        X   XXXX                                                                      X                                              
        X    XXX                                                                      X                                              
        X     XX                                                                      X                                              
        X     XX                                                                      X                                              
        X     XX                                                                      X                                              
        X     XX                                                                      X                                              
              XX                                                                      X                                              
              XX                                                                      X                                              
              X                                                                       X                                              
              X                                                                       X                                              
                                                                                      X                                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000027    0.000005340    0.000001084
      2        6          -0.000006133   -0.000001630   -0.000002375
      3        6          -0.000000263    0.000000389   -0.000004202
      4        6           0.000009385   -0.000005473   -0.000005547
      5        6          -0.000005412   -0.000005575    0.000004900
      6        6           0.000002905    0.000002589    0.000003920
      7        6           0.000004272    0.000003956    0.000000704
      8        6          -0.000006133   -0.000005180   -0.000003942
      9        8           0.000003643    0.000016484    0.000017231
     10        6          -0.000005676   -0.000002001   -0.000018918
     11        1          -0.000000008   -0.000000250    0.000000693
     12        1           0.000000245    0.000000232    0.000001076
     13        1          -0.000003571    0.000000692    0.000005274
     14        1          -0.000001332    0.000000365   -0.000000670
     15        1           0.000001386   -0.000000610   -0.000001290
     16        6          -0.000001587   -0.000003767   -0.000001664
     17        1          -0.000001926    0.000000802   -0.000001056
     18        1           0.000000337    0.000000429    0.000002044
     19        1           0.000004594   -0.000002118    0.000004192
     20        1           0.000000562   -0.000004645   -0.000002538
     21        1           0.000002824   -0.000000752    0.000002106
     22        1          -0.000000115    0.000001729    0.000000254
     23        1           0.000002031   -0.000001006   -0.000001277
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000018918 RMS     0.000004846
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149408D+03 -0.240749D+01  0.264774D+01
      2  -0.240749D+01  0.130878D+03 -0.380498D+01
      3   0.264774D+01 -0.380498D+01  0.875999D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.211360D+01 -0.557183D+01 -0.119410D+02
      2   0.743400D+01 -0.118981D+02 -0.267867D+01
      3   0.544232D+01 -0.504940D+02  0.911190D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.143809D+03  0.144442D+02  0.310775D+01
      2  -0.744283D+02  0.604287D+01  0.100798D+02
      3  -0.693802D+02 -0.204871D+02 -0.131876D+02
      4   0.516407D+02  0.700009D+02 -0.275386D+02
      5   0.177104D+01 -0.289127D+02 -0.123486D+02
      6  -0.130343D+02  0.766361D+01  0.161248D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.216282D+01  0.204059D+01 -0.383842D+00  0.500960D+01 -0.954388D+00
      2   0.204059D+01  0.227001D+01 -0.605912D+00 -0.954388D+00  0.259204D+01
      3  -0.383842D+00 -0.605912D+00  0.246766D+01  0.957298D+00  0.104123D+01
                 6             7             8             9            10 
      1   0.957298D+00 -0.141670D+01  0.794710D+00  0.428048D+01  0.569636D+01
      2   0.104123D+01  0.794710D+00  0.738802D+00  0.293855D+01 -0.134316D+01
      3   0.200127D+01  0.428048D+01  0.293855D+01 -0.820416D+00 -0.396481D+00
                11            12            13            14            15 
      1  -0.134316D+01 -0.396481D+00 -0.254471D+01 -0.161592D+01  0.117400D+01
      2   0.285448D+01 -0.805246D-01 -0.161592D+01 -0.259451D+01 -0.843011D+00
      3  -0.805246D-01  0.285273D+01  0.117400D+01 -0.843011D+00 -0.862441D+00
                16            17            18            19            20 
      1  -0.744624D-02  0.128932D+01  0.518736D+01  0.974585D-01 -0.509068D+01
      2   0.128932D+01  0.111045D+00 -0.138407D+01 -0.509068D+01 -0.175603D+00
      3   0.518736D+01 -0.138407D+01  0.140222D+01  0.325161D+00 -0.205652D+00
                21            22            23            24            25 
      1   0.325161D+00  0.467726D+01 -0.102862D+01 -0.125898D+00 -0.832538D+00
      2  -0.205652D+00 -0.102862D+01  0.234120D+01  0.923304D+00 -0.963835D+00
      3  -0.869291D+00 -0.125898D+00  0.923304D+00  0.191912D+01  0.455052D-01
                26            27            28            29            30 
      1  -0.963835D+00  0.455052D-01 -0.117395D+02  0.560196D+01 -0.271853D+00
      2   0.119135D+01  0.352141D+01  0.560196D+01 -0.587109D+01  0.245961D+00
      3   0.352141D+01 -0.213458D+01 -0.271853D+00  0.245961D+00 -0.173105D+01
                31            32            33            34            35 
      1   0.972467D+01  0.153231D+01 -0.727204D+00 -0.164595D+01 -0.973618D+00
      2   0.153231D+01  0.230465D+01 -0.196781D+00 -0.973618D+00 -0.687777D-01
      3  -0.727204D+00 -0.196781D+00  0.349722D+00 -0.305405D+01  0.178725D+01
                36            37            38            39            40 
      1  -0.305405D+01 -0.127540D+01 -0.429019D+01  0.502707D+00 -0.131559D+02
      2   0.178725D+01 -0.429019D+01 -0.659112D+01  0.380329D+00 -0.249868D+01
      3  -0.953449D+00  0.502707D+00  0.380329D+00 -0.133078D+01 -0.451568D+00
                41            42            43            44            45 
      1  -0.249868D+01 -0.451568D+00  0.275808D+01 -0.168738D+00 -0.200554D+01
      2  -0.543305D+01 -0.280487D+00 -0.168738D+00 -0.722291D+00 -0.284077D+01
      3  -0.280487D+00 -0.789398D+00 -0.200554D+01 -0.284077D+01  0.521271D+00
                46            47            48            49            50 
      1  -0.329647D+01  0.385922D+01 -0.310183D+00 -0.422492D+01  0.678956D+00
      2   0.385922D+01  0.260713D+01  0.348657D+00  0.678956D+00 -0.164680D+01
      3  -0.310183D+00  0.348657D+00 -0.430615D+00 -0.450581D-03 -0.829201D+00
                51            52            53            54            55 
      1  -0.450581D-03  0.558599D+00  0.507039D+00  0.136961D+01  0.169662D+01
      2  -0.829201D+00  0.507039D+00 -0.128221D+01 -0.344982D+01 -0.706255D+00
      3  -0.216573D+01  0.136961D+01 -0.344982D+01  0.204172D+01 -0.370592D+00
                56            57            58            59            60 
      1  -0.706255D+00 -0.370592D+00 -0.247851D+01  0.455469D+01  0.149676D+01
      2   0.312413D+01  0.176807D+01  0.455469D+01 -0.171080D+01  0.187655D+01
      3   0.176807D+01  0.201900D+01  0.149676D+01  0.187655D+01 -0.395227D+01
                61            62            63            64            65 
      1  -0.237069D+01  0.211352D+01  0.355557D+01  0.675269D+01 -0.257750D+01
      2   0.211352D+01  0.563464D+00 -0.508404D+01 -0.257750D+01 -0.179818D+01
      3   0.355557D+01 -0.508404D+01  0.118057D+01 -0.543060D-01 -0.103287D+01
                66            67            68            69            70 
      1  -0.543060D-01 -0.407505D+01 -0.980475D+00 -0.103167D+01 -0.432737D+00
      2  -0.103287D+01 -0.980475D+00  0.183975D+00 -0.151669D+01 -0.341487D+00
      3  -0.226125D+01 -0.103167D+01 -0.151669D+01  0.155065D+01  0.111140D-01
                71            72            73            74            75 
      1  -0.341487D+00  0.111140D-01 -0.608108D+01 -0.629502D+00  0.101014D+01
      2  -0.102494D+01  0.363369D+01 -0.629502D+00  0.112835D+01  0.937338D+00
      3   0.363369D+01  0.642868D+01  0.101014D+01  0.937338D+00  0.310558D+00
                76            77            78            79            80 
      1   0.736693D+00 -0.168333D+01  0.571090D+00  0.125128D+01 -0.431248D-01
      2  -0.168333D+01 -0.310394D+01  0.123877D+01 -0.431248D-01  0.136611D+01
      3   0.571090D+00  0.123877D+01  0.909872D-01 -0.127858D+01 -0.205558D+01
                81            82            83            84            85 
      1  -0.127858D+01  0.268536D+01 -0.116408D+00  0.361322D-01  0.144480D+01
      2  -0.205558D+01 -0.116408D+00 -0.105805D+01 -0.299830D+00  0.389169D+01
      3   0.154790D+00  0.361322D-01 -0.299830D+00 -0.744845D+00  0.445376D+00
                86            87            88            89            90 
      1   0.389169D+01  0.445376D+00  0.575896D+00  0.108014D+01  0.122033D+01
      2   0.846948D+01  0.725060D+00  0.108014D+01  0.220885D+01  0.649740D+01
      3   0.725060D+00  0.358889D+01  0.122033D+01  0.649740D+01  0.880862D+00
                91            92            93            94            95 
      1   0.776839D+01  0.439874D+01 -0.362750D+00  0.440089D+01  0.410361D+01
      2   0.439874D+01  0.312896D+01 -0.213144D+00  0.410361D+01  0.431773D+01
      3  -0.362750D+00 -0.213144D+00  0.636079D+00 -0.573296D+00 -0.472774D+00
                96            97            98            99           100 
      1  -0.573296D+00 -0.276449D+00 -0.424620D+00 -0.742274D-01  0.120434D+02
      2  -0.472774D+00 -0.424620D+00 -0.678186D+00 -0.183812D-01 -0.291292D+01
      3   0.566481D+00 -0.742274D-01 -0.183812D-01 -0.995982D-01  0.124735D+01
               101           102           103           104           105 
      1  -0.291292D+01  0.124735D+01 -0.292238D+01  0.229735D+01 -0.626713D+00
      2   0.139382D+01 -0.315252D+00  0.229735D+01 -0.132777D+01  0.321393D+00
      3  -0.315252D+00  0.901678D+00 -0.626713D+00  0.321393D+00 -0.347477D+00
               106           107           108           109           110 
      1   0.156790D+01 -0.646812D+00  0.229990D-01 -0.482938D+00  0.130057D+01
      2  -0.646812D+00  0.425625D+00 -0.603363D-01  0.130057D+01 -0.980631D+00
      3   0.229990D-01 -0.603363D-01  0.161271D+00 -0.225662D+00  0.284630D+00
               111           112           113           114           115 
      1  -0.225662D+00  0.107332D+01 -0.534671D+00  0.442583D-01 -0.218188D+00
      2   0.284630D+00 -0.534671D+00  0.946917D+01 -0.172244D+01  0.267771D+00
      3  -0.859135D-01  0.442583D-01 -0.172244D+01  0.110622D+01  0.448290D-01
               116           117           118           119           120 
      1   0.267771D+00  0.448290D-01  0.104905D+01 -0.166680D+01  0.352314D+00
      2  -0.191337D+01  0.420353D+00 -0.166680D+01  0.167888D+01 -0.329399D+00
      3   0.420353D+00 -0.223528D+00  0.352314D+00 -0.329399D+00  0.324906D+00
               121           122           123           124           125 
      1  -0.161315D+01  0.240177D+01 -0.463642D+00  0.240518D+00 -0.510381D+00
      2   0.240177D+01 -0.983643D+01  0.171750D+01 -0.510381D+00  0.194166D+01
      3  -0.463642D+00  0.171750D+01 -0.109496D+01  0.174567D+00 -0.419904D+00
               126           127           128           129           130 
      1   0.174567D+00 -0.226297D+00  0.873934D+00 -0.109501D+01  0.230314D+01
      2  -0.419904D+00  0.873934D+00 -0.520459D+00  0.793213D-01 -0.195910D+01
      3   0.204493D+00 -0.109501D+01  0.793213D-01 -0.653634D+00  0.471905D+00
               131           132           133           134           135 
      1  -0.195910D+01  0.471905D+00 -0.175553D+01  0.850913D+00 -0.159871D+01
      2   0.433408D+01 -0.242866D+01  0.850913D+00 -0.284138D+01  0.324474D+01
      3  -0.242866D+01  0.280809D+01 -0.159871D+01  0.324474D+01 -0.504040D+01
               136           137           138           139           140 
      1   0.592077D+01 -0.489135D+01  0.245162D+00 -0.247075D+01 -0.202277D+01
      2  -0.489135D+01 -0.102088D+01 -0.224585D+01 -0.202277D+01 -0.875503D+00
      3   0.245162D+00 -0.224585D+01 -0.143526D+01 -0.235346D+01 -0.114598D+01
               141           142           143           144           145 
      1  -0.235346D+01  0.450964D+01 -0.389317D+01 -0.220231D+01 -0.526836D+00
      2  -0.114598D+01 -0.389317D+01  0.659240D+00  0.385297D+01 -0.722311D-01
      3   0.353349D+01 -0.220231D+01  0.385297D+01 -0.681593D+00 -0.940546D+00
               146           147           148           149           150 
      1  -0.722311D-01 -0.940546D+00 -0.153260D+00 -0.182479D+00 -0.369223D+00
      2   0.561248D+00  0.308850D+00 -0.182479D+00 -0.143583D+01 -0.163662D+01
      3   0.308850D+00  0.120744D+01 -0.369223D+00 -0.163662D+01 -0.234256D+01
               151           152           153           154           155 
      1  -0.151022D+01 -0.313205D+00 -0.166754D+01 -0.120001D+02  0.141521D+01
      2  -0.313205D+00 -0.172689D+01 -0.198324D+01  0.141521D+01 -0.122891D+01
      3  -0.166754D+01 -0.198324D+01 -0.882267D+01 -0.112871D+01  0.112118D+00
               156           157           158           159           160 
      1  -0.112871D+01  0.245772D+01 -0.148255D+01  0.371430D+00  0.398247D+00
      2   0.112118D+00 -0.148255D+01  0.871180D+00  0.308851D-02  0.543494D-01
      3  -0.110601D+01  0.371430D+00  0.308851D-02  0.698698D-01 -0.125788D+01
               161           162           163           164           165 
      1   0.543494D-01 -0.125788D+01 -0.627469D+00 -0.999674D+00 -0.928185D+00
      2   0.260530D+00 -0.543879D-01 -0.999674D+00  0.247991D+00 -0.126541D+00
      3  -0.543879D-01 -0.558808D+00 -0.928185D+00 -0.126541D+00 -0.291167D+00
               166           167           168           169           170 
      1  -0.156160D+01 -0.172657D+01 -0.457990D+00 -0.262467D+01 -0.136050D+01
      2  -0.172657D+01 -0.734265D+01 -0.281761D+01 -0.136050D+01 -0.577422D+01
      3  -0.457990D+00 -0.281761D+01 -0.211542D+01 -0.877250D+00 -0.443803D+01
               171           172           173           174           175 
      1  -0.877250D+00  0.252531D-01 -0.457002D+00  0.829854D+00 -0.124805D+01
      2  -0.443803D+01 -0.457002D+00  0.676762D+00 -0.276492D+00 -0.137571D+01
      3  -0.413903D+01  0.829854D+00 -0.276492D+00  0.153688D+00  0.272433D+00
               176           177           178           179           180 
      1  -0.137571D+01  0.272433D+00  0.163877D+01  0.767199D+00 -0.625859D+00
      2  -0.621649D+01  0.270385D+01  0.767199D+00  0.437067D+01 -0.401284D+01
      3   0.270385D+01 -0.240057D+01 -0.625859D+00 -0.401284D+01  0.391880D+01
               181           182           183           184           185 
      1  -0.848930D+00  0.178829D-01  0.743124D+00 -0.937814D+00  0.165020D+00
      2   0.178829D-01  0.654706D-01  0.306706D+00  0.165020D+00 -0.161092D+01
      3   0.743124D+00  0.306706D+00 -0.563020D-01  0.889100D+00  0.101512D+01
               186           187           188           189           190 
      1   0.889100D+00  0.112191D+01  0.340426D+00 -0.985412D+00 -0.102810D+02
      2   0.101512D+01  0.340426D+00  0.154546D+01 -0.124549D+01  0.472008D+01
      3  -0.307902D+01 -0.985412D+00 -0.124549D+01  0.540395D+01  0.749153D+00
               191           192           193           194           195 
      1   0.472008D+01  0.749153D+00  0.369573D+01 -0.265784D+01 -0.649567D-01
      2  -0.318358D+01 -0.415981D+00 -0.265784D+01  0.279047D+01  0.380744D+00
      3  -0.415981D+00 -0.128763D+01 -0.649567D-01  0.380744D+00  0.282392D+00
               196           197           198           199           200 
      1  -0.161499D+01  0.916089D+00 -0.839648D+00  0.148791D+01  0.152547D+01
      2   0.916089D+00 -0.748860D+00  0.174730D+00  0.152547D+01  0.269128D+01
      3  -0.839648D+00  0.174730D+00 -0.176828D+00  0.427028D+00  0.137546D+01
               201           202           203           204           205 
      1   0.427028D+00  0.186224D+01  0.107771D+01  0.552422D+00  0.852718D-01
      2   0.137546D+01  0.107771D+01  0.546073D+01  0.194367D+01  0.658010D+00
      3   0.141001D+01  0.552422D+00  0.194367D+01  0.128268D+01  0.554651D+00
               206           207 
      1   0.658010D+00  0.554651D+00
      2   0.139833D+01  0.975791D+00
      3   0.975791D+00  0.135227D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.715029D+00 -0.970792D+00 -0.415432D+01 -0.171977D+01  0.912588D+00
      2  -0.149388D+01 -0.640738D+00  0.576961D+01  0.257989D+01  0.260969D+01
      3  -0.439176D+01 -0.132360D+02  0.139920D+01  0.726383D+01 -0.725736D+00
                 6             7             8             9            10 
      1  -0.251223D+00 -0.810384D+01  0.592485D+01 -0.189048D+01 -0.550409D+00
      2   0.699177D+01  0.209515D+01  0.111522D+02 -0.293322D+01  0.653762D+00
      3  -0.229577D+01 -0.195287D+01 -0.335131D+01 -0.421987D+01  0.390676D+01
                11            12            13            14            15 
      1  -0.136926D+00  0.229824D+01 -0.248291D+00  0.220592D+01  0.199472D+01
      2   0.651761D-01  0.869721D+01  0.382361D+01 -0.128416D+01 -0.365121D+01
      3  -0.112635D+02  0.413059D+00  0.110404D+02 -0.156445D+00  0.283764D+01
                16            17            18            19            20 
      1   0.518165D+01  0.105367D+02 -0.187350D+01  0.427906D+00  0.117402D+01
      2   0.863974D+01 -0.634384D+01  0.385532D+01  0.317535D+01 -0.347635D+01
      3  -0.273276D+01  0.211811D+01  0.188666D+01  0.550603D+01 -0.559694D+01
                21            22            23            24            25 
      1   0.317685D+01  0.130517D+00 -0.613592D+00 -0.353429D+01  0.246795D+01
      2  -0.212514D+01 -0.170129D+01 -0.358508D+00  0.361836D+01 -0.140589D+02
      3   0.265045D+01  0.453469D+01 -0.931927D+01 -0.241296D+00  0.298153D+01
                26            27            28            29            30 
      1   0.576131D+00  0.131809D+01 -0.719325D+00 -0.463573D+00  0.155623D+01
      2   0.500815D+01 -0.360246D+01 -0.128507D+01  0.252252D+01 -0.237662D+01
      3  -0.167813D+01 -0.734121D+01 -0.100412D+01  0.112585D+02 -0.119025D+01
                31            32            33            34            35 
      1  -0.683279D+00  0.207099D+01 -0.539469D+00  0.244028D+01  0.951456D+01
      2   0.218811D+01 -0.841185D+00  0.615139D-01 -0.149265D+02  0.129454D+01
      3   0.126090D+02 -0.107079D+02 -0.217670D+01  0.130415D+01  0.266229D+01
                36            37            38            39            40 
      1  -0.788544D+00  0.137065D+01 -0.583263D+00 -0.851958D+00 -0.155078D+01
      2  -0.110857D+01  0.113695D+01  0.770096D+00 -0.183872D+01 -0.292685D+01
      3  -0.211502D+01 -0.651923D+01  0.712030D+01 -0.286011D+01  0.115699D+02
                41            42            43            44            45 
      1   0.689490D-01 -0.598866D+00 -0.342679D+01  0.756406D+01 -0.847411D+00
      2   0.317700D+01 -0.682519D+00 -0.140610D+02 -0.615074D+00 -0.766289D+00
      3   0.167364D+02  0.116988D+01  0.312178D+00 -0.211125D+01  0.358770D+01
                46            47            48            49            50 
      1   0.533245D-01  0.466896D+00 -0.164767D+01  0.136073D+01 -0.671538D+00
      2  -0.102610D+01 -0.193123D+01 -0.123435D+01 -0.228738D+01 -0.201942D+01
      3  -0.118573D+01 -0.124791D+02  0.186127D+01 -0.321431D+00  0.628278D+01
                51            52            53            54            55 
      1  -0.334999D+01  0.171939D+01  0.124924D+01  0.677517D+00  0.719001D+00
      2  -0.569876D+01 -0.104600D+02 -0.900180D+01  0.337425D+01 -0.527228D+00
      3   0.938395D+00  0.127466D+01  0.929749D+00  0.699962D+01  0.319577D+01
                56            57            58            59            60 
      1  -0.335204D+01 -0.306435D+01 -0.208570D+01 -0.378045D+01  0.119915D+01
      2  -0.145367D+01  0.605848D+00 -0.353037D+01  0.297629D+00  0.662741D+01
      3  -0.887809D+00  0.199397D+01  0.126239D+02  0.637010D+01  0.672547D+01
                61            62            63            64            65 
      1  -0.705831D+01  0.948909D+01  0.259191D+00  0.295666D+01  0.192184D+01
      2  -0.115587D+02  0.983246D+01  0.129202D+00  0.835947D+01 -0.186851D+01
      3   0.316312D-01  0.679642D+01 -0.509463D+01 -0.112339D+02 -0.764185D+01
                66            67            68            69            70 
      1   0.155505D+01 -0.387363D+00  0.250784D+01  0.190722D+01  0.222332D+01
      2   0.640236D+01 -0.234532D+01  0.207902D+01 -0.625819D+01 -0.232073D+01
      3  -0.338689D+01 -0.560895D+01  0.268402D+01 -0.539766D+01  0.735170D+00
                71            72            73            74            75 
      1   0.169278D+01 -0.228221D+01  0.578603D+00  0.995071D+00  0.637667D+00
      2  -0.106359D+02 -0.166651D+02  0.154966D+01 -0.119371D+01  0.625612D+01
      3  -0.335584D+01  0.802576D+01  0.143047D+02 -0.654956D+01  0.108206D+01
                76            77            78            79            80 
      1  -0.905941D+00  0.197103D+01 -0.772328D+01 -0.446102D+01  0.176219D+01
      2   0.303022D-01 -0.413944D+01 -0.268543D+00 -0.329306D+01  0.562629D+01
      3   0.311150D+01 -0.613203D+01  0.533548D+01 -0.257762D+01  0.754984D+01
                81            82            83            84            85 
      1   0.394252D+01 -0.484408D-01  0.333639D+00 -0.377640D+01  0.134986D+01
      2  -0.127869D+01 -0.250895D+01  0.595444D+00 -0.212050D+01  0.600713D+00
      3  -0.260421D+01 -0.599444D+01  0.523096D+00 -0.974297D+00  0.852366D+01
                86            87            88            89            90 
      1   0.205041D+01  0.927669D+01  0.630820D+01  0.218595D+02  0.171237D+01
      2  -0.250282D+00 -0.628395D+00 -0.561613D+01 -0.496567D+01 -0.263550D+00
      3  -0.531259D+01 -0.755154D+00 -0.267853D+01 -0.283020D+01  0.353613D+01
                91            92            93            94            95 
      1  -0.215580D+00 -0.406437D+00 -0.228606D+01  0.325729D+00 -0.823560D-01
      2   0.445122D+00  0.267054D+00  0.401361D+01 -0.986771D+00 -0.828849D+00
      3  -0.261229D+01 -0.626341D+01  0.829643D-01 -0.509938D+01 -0.910121D+01
                96            97            98            99           100 
      1  -0.239193D+01  0.124648D+01  0.119646D+01  0.195389D+00  0.232787D+00
      2   0.315618D+01 -0.195553D+01 -0.109695D+01 -0.225568D+00  0.189277D+01
      3   0.703145D+00  0.947927D+00  0.133310D+01  0.923551D-01  0.257895D+01
               101           102           103           104           105 
      1   0.398835D+00  0.143011D+01 -0.794442D-01 -0.132883D+00 -0.899394D+00
      2  -0.500659D+00  0.591267D+01 -0.173992D+01  0.842058D+00 -0.205010D+01
      3  -0.595280D+01  0.320486D+00 -0.487445D+01  0.372667D+01 -0.709680D+00
               106           107           108           109           110 
      1  -0.813091D+00  0.590577D+00  0.189839D+00 -0.292499D+00  0.109979D+00
      2  -0.267019D+01  0.640922D+00  0.602877D+00 -0.718028D+00  0.694768D+00
      3   0.111518D+01 -0.121313D+01  0.133988D+00 -0.449006D+01  0.363523D+01
               111           112           113           114           115 
      1   0.643826D+00  0.377605D+00 -0.913835D+00 -0.459048D+01 -0.233373D+00
      2   0.144846D-01  0.101010D+01 -0.246851D+01  0.924923D+00 -0.145612D+01
      3  -0.629322D+00  0.632204D+01 -0.149675D+02  0.273486D+01 -0.132544D+01
               116           117           118           119           120 
      1   0.211148D+01  0.527288D+00  0.206671D-01 -0.159236D+00  0.103623D+01
      2   0.391814D+00 -0.910084D-02  0.441451D+00 -0.233586D+00  0.860601D+00
      3   0.316028D+01 -0.229987D+00  0.173892D+01 -0.838874D+00  0.172929D+00
               121           122           123           124           125 
      1  -0.295657D+00 -0.252807D+00 -0.465952D+01 -0.724996D-01  0.190235D+01
      2  -0.970004D-01  0.322200D+01 -0.256398D+01 -0.128826D+01 -0.194203D-01
      3   0.148558D+01  0.166161D+02 -0.283746D+01 -0.210861D+00 -0.333736D+01
               126           127           128           129           130 
      1   0.661925D+00  0.908338D+00  0.410434D+00  0.926205D+00 -0.164810D+00
      2   0.288063D+00  0.150369D+01  0.400993D-01  0.122316D+01  0.971662D+00
      3   0.386385D-01  0.220373D+01 -0.211418D+01 -0.134524D+01  0.186331D+01
               131           132           133           134           135 
      1  -0.150019D+00 -0.392112D+01  0.206258D+01  0.151203D-03  0.484560D+01
      2   0.256392D+01 -0.418367D+01 -0.692799D+00 -0.426198D+01  0.656084D+01
      3   0.515877D+01 -0.391937D+01 -0.212455D+01 -0.510523D+01  0.444429D+01
               136           137           138           139           140 
      1  -0.632275D+01  0.251970D+01  0.740059D+00  0.542393D+01 -0.687886D+00
      2  -0.714333D+01  0.111117D+02  0.583536D+01  0.101916D+02  0.294978D+01
      3   0.184125D+01 -0.165273D+02 -0.461659D+01 -0.976385D+01 -0.751730D+01
               141           142           143           144           145 
      1  -0.130727D+02  0.950103D+00 -0.813748D+01  0.522077D+01  0.551505D-01
      2  -0.473238D+01  0.273522D+01 -0.560313D+01  0.288668D+01  0.247529D+01
      3  -0.861152D+01 -0.221033D+01 -0.937088D+01  0.460791D+01  0.668973D+00
               146           147           148           149           150 
      1  -0.167256D+01  0.146026D+00 -0.252131D+00  0.256257D+01  0.782009D-01
      2  -0.401965D+00 -0.300247D+01 -0.681594D+00  0.358915D+01  0.496602D+01
      3   0.180589D+01  0.575101D+00  0.270110D+01 -0.371503D+01 -0.347593D+01
               151           152           153           154           155 
      1   0.490909D-01  0.524371D+01  0.585372D+00 -0.107060D+01  0.144168D+01
      2  -0.137373D+01  0.440399D+01  0.197400D+02 -0.760579D+01  0.859361D+00
      3   0.551463D+00 -0.498368D+01 -0.326495D+01  0.463508D+01 -0.755086D+01
               156           157           158           159           160 
      1   0.231880D+00  0.121916D+01 -0.107914D+01 -0.907127D+00 -0.374583D+00
      2   0.524712D+01  0.126037D+01 -0.109927D+01 -0.422154D+00  0.249162D+01
      3   0.482172D+00 -0.291696D+01  0.338182D+01  0.507222D+00  0.604171D+00
               161           162           163           164           165 
      1   0.456516D+00  0.430438D+00 -0.262249D+01  0.427673D-01 -0.665172D+00
      2   0.379431D+00  0.298999D+00 -0.418993D+00 -0.265015D+00  0.157026D+01
      3   0.140687D+01 -0.165764D+00  0.209920D+01  0.121863D+01  0.283548D+01
               166           167           168           169           170 
      1  -0.163619D+01 -0.556282D+01 -0.737563D+01 -0.264274D+01 -0.910345D+01
      2  -0.217723D+00  0.117886D+01  0.132753D+01 -0.468100D+00  0.238712D+01
      3   0.364098D+01 -0.267431D+01 -0.133951D+01  0.748176D+01 -0.878792D+00
               171           172           173           174           175 
      1  -0.109091D+02  0.177081D+01 -0.211576D+00  0.479740D+00  0.104099D+01
      2   0.187334D+01 -0.366426D-01  0.329685D+00  0.485876D+00  0.655899D+00
      3  -0.217060D+01 -0.619732D+00 -0.125811D+01 -0.222744D+01  0.294912D+01
               176           177           178           179           180 
      1   0.464833D+01 -0.695195D+01 -0.188342D+01 -0.738684D+01  0.965539D+01
      2  -0.232233D+01  0.191262D+01 -0.141512D+01  0.270439D+01 -0.291452D+01
      3  -0.231554D+01  0.235842D+01 -0.474838D+01  0.292265D+01 -0.308991D+01
               181           182           183           184           185 
      1  -0.138327D+01 -0.317324D+00  0.684910D+00 -0.126282D+01 -0.664581D+01
      2  -0.586895D+00 -0.486251D+00  0.259841D-01  0.224276D+00 -0.230146D+01
      3  -0.128669D+01 -0.312081D+00  0.172134D+01 -0.174309D+00 -0.416228D+01
               186           187           188           189           190 
      1   0.636121D+01  0.196199D+01  0.713661D+01 -0.118204D+02  0.204195D+01
      2   0.561234D+01 -0.183198D+01  0.266618D+01 -0.965558D+01  0.710821D+01
      3   0.365886D+01  0.245650D+01  0.445003D+01 -0.473172D+01 -0.121435D+02
               191           192           193           194           195 
      1  -0.210815D+01  0.369391D+01 -0.185464D+01  0.161001D+01 -0.125075D+01
      2  -0.277138D+01  0.548350D+01 -0.307121D+01  0.975145D+00 -0.166323D+01
      3  -0.552806D+00  0.299610D+00  0.369415D+01  0.164284D+01  0.811988D+00
               196           197           198           199           200 
      1   0.183559D+01  0.407616D+00  0.466830D+00  0.137449D+01  0.567027D+00
      2   0.111465D+01 -0.355116D+00  0.115876D+01 -0.406636D+01 -0.393468D+01
      3  -0.877507D+00  0.429153D+00 -0.171251D+01  0.100082D+02  0.801581D+01
               201           202           203           204           205 
      1  -0.279100D+01  0.573863D+00  0.186635D+01 -0.260127D+01 -0.583030D+00
      2  -0.190411D+01 -0.395112D+01 -0.557083D+01 -0.239555D+01 -0.234907D+01
      3   0.323979D+01  0.954566D+01  0.130006D+02  0.530012D+01  0.164253D+01
               206           207 
      1   0.861010D+00 -0.217666D+01
      2  -0.238170D+01 -0.266715D+01
      3   0.445731D+01  0.338732D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.112074D+01 -0.187294D+02  0.290731D+01  0.332243D+02  0.141356D+00
      2  -0.276093D+01  0.129379D+02  0.182995D+01 -0.312896D+02 -0.377734D+01
      3   0.388167D+01  0.579147D+01 -0.473726D+01 -0.193473D+01  0.363599D+01
      4  -0.169492D+02  0.174426D+02 -0.432716D+01 -0.726550D+00 -0.170692D+02
      5  -0.250757D+01 -0.264605D+01  0.126422D+02  0.719903D+01  0.691979D+01
      6  -0.244404D+01 -0.164347D+01  0.947181D+01  0.721234D+01  0.304386D+01
                 6             7             8             9            10 
      1   0.146694D+01 -0.920774D+01 -0.168696D+01  0.106396D+02 -0.288281D+01
      2  -0.296963D+01  0.103957D+02  0.426471D+01 -0.144792D+02  0.530328D+00
      3   0.150269D+01 -0.118797D+01 -0.257775D+01  0.383959D+01  0.235248D+01
      4   0.101634D+02  0.286313D+01  0.925499D+01  0.147005D+02  0.816345D+01
      5   0.149354D+02  0.302218D+02  0.163270D+02 -0.692619D+01 -0.603975D+01
      6   0.151042D+01  0.901206D+01  0.110106D+02  0.228358D+01 -0.225473D+00
                11            12            13            14            15 
      1   0.614691D+01 -0.628620D+01 -0.236098D+02 -0.199971D+02  0.617103D+01
      2  -0.299316D+01  0.169428D+01  0.213299D+02  0.194662D+02 -0.762838D+01
      3  -0.315376D+01  0.459192D+01  0.227987D+01  0.530925D+00  0.145734D+01
      4   0.249507D+02  0.334231D+00 -0.204361D+02  0.156036D+02 -0.828961D+01
      5   0.146330D+01  0.187997D+02  0.109586D+02 -0.442829D+01 -0.818735D+01
      6  -0.353795D+00 -0.511982D+01 -0.596858D+01 -0.252542D+01 -0.397391D+01
                16            17            18            19            20 
      1  -0.309649D+01  0.749177D+01  0.166989D+02  0.112104D+02 -0.102940D+01
      2  -0.238552D+01 -0.479065D+01 -0.201437D+02 -0.773793D+01 -0.221488D+01
      3   0.548201D+01 -0.270112D+01  0.344481D+01 -0.347250D+01  0.324429D+01
      4   0.123265D+02 -0.492869D+01 -0.548679D+01  0.580051D+01 -0.269677D+02
      5   0.375658D+02 -0.853899D+01  0.768087D+01  0.370846D+01  0.206569D+01
      6  -0.387698D+01  0.637203D+01  0.271372D+01  0.214458D+01 -0.118021D+01
                21            22            23            24            25 
      1   0.126872D+01  0.830810D+01  0.886788D+01 -0.476617D+01  0.868360D+00
      2  -0.232624D+01 -0.140732D+01 -0.153156D+02  0.752566D+01 -0.154889D+01
      3   0.105752D+01 -0.690078D+01  0.644773D+01 -0.275949D+01  0.680530D+00
      4   0.366525D+01  0.182830D+02  0.102002D+02  0.666041D+00 -0.178015D+01
      5  -0.612678D+01 -0.152543D+01  0.262923D+00  0.563679D+01  0.304488D+01
      6  -0.588652D+01 -0.175174D+01  0.104815D+02  0.633437D+01  0.927217D+00
                26            27            28            29            30 
      1  -0.408557D+01 -0.139784D+02 -0.333669D+02  0.137741D+02 -0.206812D+01
      2   0.963421D+01  0.251274D+00  0.197519D+02 -0.696020D+01 -0.286854D+00
      3  -0.554863D+01  0.137271D+02  0.136150D+02 -0.681390D+01  0.235497D+01
      4  -0.255200D+01  0.118717D+02 -0.108491D+02  0.924370D+01 -0.311313D+00
      5   0.109979D+02 -0.781107D+01 -0.315175D+01  0.120643D+01 -0.323420D+01
      6   0.141319D+02 -0.516437D+01  0.235494D+01  0.134823D+00 -0.200703D+01
                31            32            33            34            35 
      1   0.144639D+02 -0.150361D+01  0.715764D+00 -0.690146D+01  0.245127D+01
      2  -0.577099D+01  0.515421D+01 -0.299658D+01 -0.912070D+00 -0.112252D+01
      3  -0.869292D+01 -0.365060D+01  0.228082D+01  0.781353D+01 -0.132875D+01
      4  -0.313339D+01  0.633679D+01 -0.127874D+01  0.449826D+01 -0.243922D+01
      5   0.240697D+01 -0.855541D+00 -0.491671D+00  0.155211D+01  0.160585D+00
      6  -0.640047D+01 -0.226947D+01  0.237589D+01 -0.114424D+01  0.763531D+01
                36            37            38            39            40 
      1  -0.115559D+02 -0.164125D+02 -0.276970D+02  0.279964D+01 -0.182818D+02
      2  -0.445464D-01  0.139346D+02  0.201266D+02  0.557156D+00  0.701234D+01
      3   0.116004D+02  0.247793D+01  0.757034D+01 -0.335679D+01  0.112694D+02
      4  -0.264926D+01 -0.502303D+01  0.960381D-01 -0.937733D+00 -0.168616D+00
      5  -0.119824D+01  0.261885D+01  0.111781D+01 -0.168446D+01  0.409341D+00
      6   0.601815D+00 -0.279161D+01 -0.271308D+00  0.102847D+01  0.808283D+01
                41            42            43            44            45 
      1  -0.106877D+02 -0.352092D+00  0.151960D+01 -0.241276D+01 -0.148893D+02
      2   0.113912D+02 -0.738884D+00  0.247565D+01  0.253067D+01  0.423720D+01
      3  -0.703501D+00  0.109098D+01 -0.399526D+01 -0.117908D+00  0.106521D+02
      4  -0.664049D+01  0.264731D+01  0.765827D+00  0.188180D+01 -0.170423D+01
      5   0.305519D+01 -0.477150D+00  0.187880D+01 -0.274633D+01 -0.204630D+00
      6  -0.972049D-01  0.122882D+01 -0.624473D+00  0.110610D+02  0.163593D+01
                46            47            48            49            50 
      1   0.110774D+02  0.190128D+02 -0.135054D+00 -0.206907D+02  0.134091D+02
      2  -0.113019D+02 -0.133566D+02  0.101320D+01  0.170831D+02 -0.201772D+02
      3   0.224519D+00 -0.565622D+01 -0.878142D+00  0.360765D+01  0.676804D+01
      4   0.718512D+01 -0.199246D+02  0.444361D+01  0.136055D+02 -0.444799D+01
      5  -0.326525D+01  0.212616D+01 -0.489705D+01 -0.664824D+00 -0.435947D+01
      6   0.471044D+01 -0.984366D+00  0.235756D+01 -0.257881D+01  0.104300D+02
                51            52            53            54            55 
      1  -0.388084D+01  0.380713D+01 -0.192508D+01 -0.693921D+01  0.205074D+02
      2   0.707533D+01 -0.464948D+01  0.879326D+01 -0.407876D+01 -0.101628D+02
      3  -0.319448D+01  0.842352D+00 -0.686818D+01  0.110180D+02 -0.103446D+02
      4  -0.397231D+01  0.114076D+01 -0.755784D+01 -0.151863D+02 -0.371814D+01
      5  -0.107959D+02  0.834623D+01 -0.155061D+02  0.662423D+01  0.210353D+01
      6   0.672890D+01 -0.493059D+01  0.133651D+02 -0.300888D+01 -0.365407D+01
                56            57            58            59            60 
      1  -0.145300D+02 -0.428575D+01 -0.191722D+02  0.395535D+01 -0.848352D+01
      2   0.112873D+02  0.460328D+01  0.125787D+02  0.139402D+01  0.698926D+01
      3   0.324264D+01 -0.317527D+00  0.659349D+01 -0.534937D+01  0.149425D+01
      4  -0.758959D+01 -0.463134D+01 -0.143468D+02  0.790940D+01 -0.487410D+01
      5  -0.655887D+01 -0.695976D+01 -0.900501D+01 -0.648914D+01  0.137183D+02
      6   0.426844D+01  0.462962D+01  0.776111D+00  0.689236D+01 -0.167698D+02
                61            62            63            64            65 
      1  -0.840823D+00 -0.736059D+01  0.110667D+02 -0.474372D+02  0.144366D+02
      2   0.474053D+01  0.553549D+00 -0.100484D+02  0.241669D+02 -0.986848D+01
      3  -0.389971D+01  0.680705D+01 -0.101831D+01  0.232703D+02 -0.456808D+01
      4  -0.124237D+02  0.298934D+01  0.204291D+02  0.156050D+02  0.377655D+01
      5  -0.158534D+02  0.192258D+02 -0.173833D+01 -0.700776D+01  0.637019D+01
      6   0.164163D+02 -0.230393D+02  0.898576D+01  0.273036D+01  0.141653D+01
                66            67            68            69            70 
      1  -0.492414D+01  0.196282D+02  0.846397D+01  0.854748D+01  0.162840D+01
      2  -0.208433D+01 -0.117869D+02 -0.116920D+02  0.276664D+00  0.124017D+01
      3   0.700847D+01 -0.784125D+01  0.322807D+01 -0.882414D+01 -0.286858D+01
      4   0.423648D+01 -0.109008D+01  0.222371D+00  0.686890D+01  0.544340D+01
      5   0.724898D+01  0.101301D+02  0.846351D+01 -0.477538D+01 -0.155670D+01
      6   0.704258D+00  0.247387D+01 -0.518301D+00 -0.458769D+01 -0.275640D+01
                71            72            73            74            75 
      1   0.302528D+01  0.149068D+02  0.312882D+02  0.883629D+01  0.667666D+00
      2   0.939874D+01  0.145171D+02 -0.177551D+02 -0.612514D+01 -0.145915D+01
      3  -0.124240D+02 -0.294240D+02 -0.135331D+02 -0.271115D+01  0.791484D+00
      4   0.384354D+00 -0.138263D+02  0.134956D+02  0.115945D+02 -0.499078D+01
      5  -0.135635D+02 -0.257326D+02 -0.537819D+01 -0.316790D+01  0.101670D+02
      6  -0.159079D+01 -0.111545D+02 -0.983075D+00 -0.716164D+01 -0.442626D+01
                76            77            78            79            80 
      1  -0.770853D+01 -0.682455D+01  0.621898D+00 -0.659695D+01 -0.536454D+00
      2   0.892310D+01  0.153427D+02  0.149732D+01  0.457437D+01 -0.389189D+01
      3  -0.121457D+01 -0.851819D+01 -0.211922D+01  0.202258D+01  0.442835D+01
      4   0.123838D+02  0.105893D+02 -0.664266D+01 -0.601230D+01 -0.642200D+01
      5  -0.455805D+01 -0.614411D+01 -0.242788D+01  0.104933D+02  0.765642D+01
      6  -0.601639D+00 -0.241066D+01  0.106533D+02  0.375191D+01  0.102912D+02
                81            82            83            84            85 
      1  -0.727846D+01 -0.134726D+02 -0.414246D+01 -0.601191D+00  0.205332D+02
      2  -0.410638D+01  0.108554D+02  0.652062D+01  0.226501D+01 -0.180547D+02
      3   0.113848D+02  0.261718D+01 -0.237816D+01 -0.166382D+01 -0.247853D+01
      4   0.930383D+01  0.882649D+00 -0.208850D+01  0.207278D+01 -0.715808D+00
      5  -0.302993D+01 -0.148789D+01  0.956705D+00 -0.732078D+01 -0.233508D+01
      6  -0.216569D+01 -0.608100D+00  0.128358D+01  0.887778D+01 -0.345098D+01
                86            87            88            89            90 
      1   0.393421D+02  0.182500D+01  0.560686D+01  0.660318D+01  0.309118D+02
      2  -0.368758D+02 -0.239189D+01 -0.594788D+01 -0.922564D+01 -0.295864D+02
      3  -0.246624D+01  0.566898D+00  0.341013D+00  0.262245D+01 -0.132538D+01
      4  -0.633318D+01 -0.246176D+01 -0.303290D+01 -0.413285D+01 -0.826986D+01
      5  -0.333352D+01 -0.406282D+01 -0.280626D+01 -0.101081D+02 -0.137909D+01
      6  -0.460827D+01 -0.265849D+02 -0.794801D+01 -0.434595D+02 -0.427977D+01
                91            92            93            94            95 
      1   0.479240D+02  0.234618D+02 -0.218834D+01  0.201269D+02  0.141156D+02
      2  -0.187286D+02 -0.603755D+01  0.103925D+01 -0.162200D+01  0.353439D+01
      3  -0.291954D+02 -0.174243D+02  0.114910D+01 -0.185049D+02 -0.176500D+02
      4   0.447002D+02  0.318312D+02 -0.212303D+01  0.374201D+02  0.361963D+02
      5  -0.508719D+01 -0.258541D+01  0.727477D+01 -0.532412D+01 -0.452731D+01
      6  -0.803591D+00 -0.677344D+00  0.297121D+01 -0.232541D+01 -0.202862D+01
                96            97            98            99           100 
      1  -0.189245D+01 -0.571096D+00 -0.582123D+00  0.198918D+00  0.925185D+02
      2   0.960061D+00 -0.902609D+00 -0.997103D+00  0.633548D+00 -0.508385D+02
      3   0.932386D+00  0.147371D+01  0.157923D+01 -0.832466D+00 -0.416801D+02
      4  -0.374193D+01 -0.389874D+01 -0.388680D+01  0.180074D+01 -0.313172D+02
      5   0.496193D+01  0.117990D+01  0.653468D+00 -0.546705D+00  0.119042D+02
      6   0.421673D+01  0.655856D+00  0.134438D+01 -0.967802D+00 -0.524696D+00
               101           102           103           104           105 
      1  -0.208352D+02  0.830501D+01 -0.193307D+02  0.131373D+02 -0.316962D+01
      2   0.102029D+02 -0.549275D+01  0.828232D+01 -0.515120D+01  0.218184D+01
      3   0.106323D+02 -0.281226D+01  0.110484D+02 -0.798613D+01  0.987777D+00
      4   0.157737D+02 -0.296937D+01  0.221776D+02 -0.121161D+02  0.273503D+01
      5  -0.276331D+01  0.103933D+02 -0.535057D+01  0.282952D+01 -0.317989D+01
      6   0.694254D+00 -0.166860D+01  0.151839D+01 -0.704738D+00  0.233729D+01
               106           107           108           109           110 
      1   0.103690D+02 -0.334857D+01  0.217422D+01 -0.385659D+01  0.649692D+01
      2  -0.543051D+01  0.150278D+01 -0.112817D+01  0.528849D+01 -0.602540D+01
      3  -0.493850D+01  0.184579D+01 -0.104605D+01 -0.143190D+01 -0.471525D+00
      4  -0.633913D+01  0.313684D+01 -0.178530D+01  0.867491D+00  0.669264D+01
      5   0.222779D+01 -0.625247D+00  0.194610D+01 -0.327453D+00 -0.615781D+00
      6  -0.454547D+00  0.940583D+00 -0.812835D+00 -0.150607D+01  0.206634D+01
               111           112           113           114           115 
      1  -0.177367D+01  0.362882D+01 -0.366102D+02  0.710947D+01 -0.114255D+01
      2   0.118413D+01 -0.294569D+01  0.508989D+02 -0.723851D+01  0.124345D+01
      3   0.589536D+00 -0.683133D+00 -0.142887D+02  0.129043D+00 -0.100899D+00
      4  -0.771930D+00  0.549883D+01  0.184535D+02 -0.383856D+01 -0.928577D+00
      5   0.140190D+01 -0.801590D+00 -0.453114D+01  0.210836D+01  0.627481D+00
      6  -0.945479D+00  0.282897D+00 -0.134158D+02  0.906710D+01 -0.173739D+00
               116           117           118           119           120 
      1   0.731635D+01 -0.299531D+01  0.149533D+01 -0.303471D+01  0.545846D+00
      2  -0.913414D+01  0.342443D+01  0.323681D+01 -0.268462D+01  0.952872D-01
      3   0.181779D+01 -0.429117D+00 -0.473214D+01  0.571933D+01 -0.641133D+00
      4  -0.302362D+01 -0.225687D+00 -0.105275D+02  0.152290D+02 -0.272868D+01
      5   0.440622D+00 -0.693043D-02  0.178540D+01 -0.246772D+01  0.285534D+01
      6   0.499459D+01 -0.286522D+01 -0.175848D+01  0.180502D+01 -0.174975D+01
               121           122           123           124           125 
      1   0.123438D+01 -0.241611D+02  0.419105D+01  0.187755D+00  0.435320D+01
      2  -0.805871D+01  0.438464D+02 -0.526265D+01  0.847753D+00 -0.737373D+01
      3   0.682433D+01 -0.196853D+02  0.107160D+01 -0.103551D+01  0.302054D+01
      4   0.170374D+02 -0.419696D+02  0.733352D+01 -0.350575D+01  0.864513D+01
      5  -0.281583D+01  0.660073D+01 -0.463118D+01  0.120032D+01 -0.159661D+01
      6   0.284197D+01 -0.110196D+02  0.865622D+01 -0.118737D+01  0.483397D+01
               126           127           128           129           130 
      1  -0.253471D+01  0.712292D+00 -0.125726D+01  0.262551D+01  0.391656D+01
      2   0.332322D+01 -0.581662D+00  0.186390D+00 -0.195787D+01 -0.402795D+01
      3  -0.788511D+00 -0.130630D+00  0.107087D+01 -0.667639D+00  0.111392D+00
      4  -0.183828D+01 -0.397500D+01  0.688818D+01 -0.345320D+01  0.102289D+02
      5   0.119471D+01  0.455750D+01 -0.260578D+01  0.726977D+01 -0.311211D+01
      6  -0.280483D+01 -0.528297D+01  0.941763D+00 -0.186747D+01  0.396615D+01
               131           132           133           134           135 
      1  -0.138278D+02  0.893062D+01 -0.469405D+00  0.106633D+02 -0.151898D+02
      2   0.141002D+02 -0.724959D+01 -0.829866D+00 -0.515669D+01  0.288298D+00
      3  -0.272480D+00 -0.168104D+01  0.129927D+01 -0.550662D+01  0.149015D+02
      4  -0.143722D+02  0.698136D+01 -0.540883D+01  0.885324D+01 -0.100009D+02
      5   0.734154D+01 -0.914591D+01  0.100002D+02 -0.103274D+02  0.153807D+02
      6  -0.157911D+02  0.170775D+02 -0.741402D+01  0.181533D+02 -0.224916D+02
               136           137           138           139           140 
      1  -0.207461D+02  0.304169D+02  0.729852D+01  0.293420D+02  0.662525D+01
      2  -0.790046D+01 -0.176068D+02 -0.914253D+01 -0.152773D+02 -0.864672D+01
      3   0.286466D+02 -0.128101D+02  0.184401D+01 -0.140647D+02  0.202147D+01
      4   0.385971D+02 -0.163004D+02  0.554475D+01 -0.825021D+01 -0.322425D+01
      5   0.398537D+01  0.380577D+00  0.562167D+01  0.312956D+01  0.245722D+00
      6  -0.269746D+01 -0.110069D+02 -0.686666D+01 -0.101063D+02 -0.578450D+01
               141           142           143           144           145 
      1   0.279456D+01  0.538572D+01  0.311153D+01 -0.292266D+01  0.290909D+01
      2  -0.177321D+02 -0.876106D+01 -0.123799D+02  0.142837D+02 -0.388716D+01
      3   0.149375D+02  0.337534D+01  0.926833D+01 -0.113610D+02  0.978067D+00
      4  -0.798150D+00  0.177308D+02 -0.801946D+01 -0.192048D+02  0.150975D+00
      5  -0.164425D+02  0.109990D+02 -0.190957D+02  0.872236D+00  0.368183D+01
      6   0.727268D+01 -0.143199D+02  0.119184D+02  0.636078D+01  0.125176D+01
               146           147           148           149           150 
      1   0.763748D+00  0.748328D+01  0.512324D+00 -0.635530D+01 -0.614060D+01
      2   0.324501D+00  0.199466D+00 -0.135182D+01  0.152848D+01 -0.214377D+01
      3  -0.108825D+01 -0.768274D+01  0.839495D+00  0.482683D+01  0.828438D+01
      4  -0.992858D+00  0.567990D+00  0.334504D+01  0.598872D+01  0.675918D+01
      5   0.555477D-01  0.596289D+00  0.338539D+01  0.593143D+01  0.940748D+01
      6  -0.871544D+00 -0.146691D+01  0.137721D+01  0.673326D+01  0.115552D+02
               151           152           153           154           155 
      1   0.448631D+01 -0.425547D+01 -0.173219D+02  0.776479D+02 -0.884349D+01
      2  -0.751799D+01 -0.279361D+01 -0.223741D+02 -0.437528D+02  0.485812D+01
      3   0.303168D+01  0.704908D+01  0.396961D+02 -0.338951D+02  0.398537D+01
      4   0.274449D+01  0.786065D+01  0.867232D+01 -0.856823D+01  0.107105D+02
      5   0.131340D+02  0.799982D+01  0.355011D+02  0.174732D+02 -0.218260D+01
      6   0.233613D+01  0.764342D+01  0.126322D+02 -0.137419D+01  0.139659D+01
               156           157           158           159           160 
      1   0.599541D+01 -0.143887D+02  0.766450D+01 -0.229441D+01 -0.216877D+01
      2  -0.548409D+01  0.805866D+01 -0.277944D+01  0.992549D+00 -0.361763D+00
      3  -0.511327D+00  0.633007D+01 -0.488506D+01  0.130186D+01  0.253053D+01
      4  -0.645331D+00  0.128086D+02 -0.573813D+01  0.498144D+00 -0.494560D+00
      5   0.109953D+02 -0.463590D+01  0.124018D+01 -0.180732D+01  0.106882D+02
      6  -0.463370D+00  0.224730D+01 -0.122322D+01  0.226990D+01 -0.835889D+00
               161           162           163           164           165 
      1  -0.245889D+00  0.550476D+01 -0.424674D+00  0.246102D+01  0.812037D+00
      2  -0.814297D+00 -0.548966D+01  0.149823D+01 -0.225238D+01 -0.131726D+01
      3   0.106019D+01 -0.151012D-01 -0.107356D+01 -0.208644D+00  0.505228D+00
      4  -0.934837D+00 -0.331850D+00  0.295297D+01  0.772855D+01  0.454845D+01
      5  -0.664855D+00  0.313113D+01  0.187292D+01  0.300047D+01  0.543285D+01
      6   0.132217D+01  0.313614D+00  0.634993D+01  0.790852D+00  0.133697D+01
               166           167           168           169           170 
      1  -0.433717D+01 -0.312983D+02 -0.114282D+02 -0.248688D+01 -0.250993D+02
      2   0.607477D+01  0.396681D+02  0.136864D+02  0.327813D+01  0.267332D+02
      3  -0.173760D+01 -0.836978D+01 -0.225815D+01 -0.791258D+00 -0.163389D+01
      4   0.693817D+01  0.106238D+02  0.399356D+01  0.840448D+01  0.829250D+01
      5   0.257037D+01  0.422698D+01  0.345515D+01  0.542557D+01  0.737809D+01
      6   0.348861D+01  0.214546D+02  0.173148D+02  0.665031D+01  0.314750D+02
               171           172           173           174           175 
      1  -0.215140D+02  0.267719D+00  0.355843D+01 -0.298552D+01 -0.423158D+01
      2   0.162339D+02  0.149926D+00 -0.374455D+01  0.191784D+01  0.507212D+01
      3   0.528013D+01 -0.417645D+00  0.186124D+00  0.106768D+01 -0.840536D+00
      4   0.611721D+01  0.800836D+00  0.652668D+01 -0.424356D+01  0.551862D+01
      5   0.609014D+01 -0.107856D+01 -0.244973D+01  0.372244D+01 -0.160067D+01
      6   0.254849D+02 -0.518355D+01  0.216462D+01 -0.124232D+01 -0.216711D+01
               176           177           178           179           180 
      1  -0.269254D+02  0.121773D+02  0.108687D+01  0.199827D+02 -0.206537D+02
      2   0.327184D+02 -0.134817D+02 -0.138707D+01 -0.198183D+02  0.141942D+02
      3  -0.579294D+01  0.130444D+01  0.300198D+00 -0.164379D+00  0.645948D+01
      4   0.774082D+01 -0.299338D+01 -0.598657D+01 -0.536444D+01  0.474530D+01
      5  -0.384365D+01  0.370112D+01  0.400052D+01  0.635071D+01 -0.537187D+01
      6  -0.194659D+02  0.176754D+02  0.502822D+01  0.269526D+02 -0.231019D+02
               181           182           183           184           185 
      1   0.362443D+01 -0.168747D+01 -0.397768D+01  0.113831D+01 -0.745532D+00
      2  -0.322579D+01  0.426365D+00  0.367083D+01 -0.255801D+01 -0.519402D+01
      3  -0.398637D+00  0.126110D+01  0.306849D+00  0.141970D+01  0.593956D+01
      4  -0.262647D+01  0.232452D+01  0.249176D+00 -0.219176D+00  0.741932D+01
      5  -0.450125D+01 -0.153959D+01  0.449495D+01 -0.590955D+01 -0.354841D+01
      6   0.677308D+00  0.114171D+01  0.564267D+00  0.153200D+01 -0.250130D+01
               186           187           188           189           190 
      1   0.204514D+01 -0.403700D+01 -0.905016D+00 -0.778104D+01  0.443327D+02
      2   0.118745D+02  0.614045D+01  0.999993D+01 -0.196488D+02 -0.961270D+01
      3  -0.139196D+02 -0.210346D+01 -0.909491D+01  0.274298D+02 -0.347200D+02
      4  -0.355299D+01  0.119069D+01 -0.573210D+01  0.541218D+01 -0.511095D+02
      5   0.121025D+02  0.867265D+01  0.499755D+01 -0.203841D+02 -0.140293D+02
      6  -0.208694D+01 -0.136260D+01  0.284423D+01  0.738538D+01  0.552515D+01
               191           192           193           194           195 
      1  -0.137201D+02  0.620139D-01 -0.106948D+02  0.284913D+01 -0.900603D+00
      2  -0.416183D+01  0.202882D+01 -0.399780D+01  0.922646D+01  0.116865D+01
      3   0.178819D+02 -0.209084D+01  0.146925D+02 -0.120756D+02 -0.268050D+00
      4   0.317258D+02  0.290904D+01  0.259861D+02 -0.213964D+02 -0.134172D+01
      5   0.644494D+01  0.998665D+01  0.459120D+01 -0.336552D+01 -0.263057D+01
      6  -0.424909D+01 -0.658328D+01 -0.221463D+01  0.386587D+01  0.366976D+01
               196           197           198           199           200 
      1   0.450820D+01 -0.121162D+01  0.358540D+01 -0.658465D+01 -0.170691D+02
      2   0.126731D+01 -0.118310D+01 -0.255003D+01  0.922837D+01  0.187659D+02
      3  -0.577551D+01  0.239472D+01 -0.103537D+01 -0.264372D+01 -0.169678D+01
      4  -0.702761D+01  0.462729D+01 -0.370549D+01  0.305384D+01  0.220660D+01
      5   0.675264D+01 -0.177972D+01  0.332315D+00  0.281844D+01  0.589940D+00
      6  -0.427493D+01  0.262006D+01 -0.120813D+01  0.409289D+01  0.102952D+02
               201           202           203           204           205 
      1  -0.801497D+01 -0.120061D+02 -0.268869D+02 -0.107510D+02 -0.370023D+01
      2   0.568741D+01  0.105238D+02  0.358433D+02  0.105321D+02  0.266602D+01
      3   0.232755D+01  0.148233D+01 -0.895643D+01  0.218913D+00  0.103421D+01
      4  -0.243315D+00  0.726310D+01 -0.638409D+01 -0.221277D+01 -0.269566D+00
      5  -0.108026D+01  0.285814D+01 -0.169142D+01 -0.971513D+00  0.161298D+01
      6   0.835155D+01  0.441377D+01  0.176577D+02  0.116589D+02  0.411818D+01
               206           207 
      1  -0.880652D+01 -0.853275D+01
      2   0.780717D+01  0.389140D+01
      3   0.999351D+00  0.464135D+01
      4  -0.932278D+00  0.116213D+01
      5  -0.430034D-01 -0.177615D+01
      6   0.100574D+02  0.782288D+01
 Leave Link  716 at Sun Jul 18 15:03:21 2021, MaxMem=  5637144576 cpu:               6.3 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149408D+03 -0.240749D+01  0.264774D+01
      2  -0.240749D+01  0.130878D+03 -0.380498D+01
      3   0.264774D+01 -0.380498D+01  0.875999D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.211360D+01 -0.557183D+01 -0.119410D+02
      2   0.743400D+01 -0.118981D+02 -0.267867D+01
      3   0.544232D+01 -0.504940D+02  0.911190D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.143809D+03  0.144442D+02  0.310775D+01
      2  -0.744283D+02  0.604287D+01  0.100798D+02
      3  -0.693802D+02 -0.204871D+02 -0.131876D+02
      4   0.516407D+02  0.700009D+02 -0.275386D+02
      5   0.177104D+01 -0.289127D+02 -0.123486D+02
      6  -0.130343D+02  0.766361D+01  0.161248D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.216282D+01  0.204059D+01 -0.383842D+00  0.500960D+01 -0.954388D+00
      2   0.204059D+01  0.227001D+01 -0.605912D+00 -0.954388D+00  0.259204D+01
      3  -0.383842D+00 -0.605912D+00  0.246766D+01  0.957298D+00  0.104123D+01
                 6             7             8             9            10 
      1   0.957298D+00 -0.141670D+01  0.794710D+00  0.428048D+01  0.569636D+01
      2   0.104123D+01  0.794710D+00  0.738802D+00  0.293855D+01 -0.134316D+01
      3   0.200127D+01  0.428048D+01  0.293855D+01 -0.820416D+00 -0.396481D+00
                11            12            13            14            15 
      1  -0.134316D+01 -0.396481D+00 -0.254471D+01 -0.161592D+01  0.117400D+01
      2   0.285448D+01 -0.805246D-01 -0.161592D+01 -0.259451D+01 -0.843011D+00
      3  -0.805246D-01  0.285273D+01  0.117400D+01 -0.843011D+00 -0.862441D+00
                16            17            18            19            20 
      1  -0.744624D-02  0.128932D+01  0.518736D+01  0.974585D-01 -0.509068D+01
      2   0.128932D+01  0.111045D+00 -0.138407D+01 -0.509068D+01 -0.175603D+00
      3   0.518736D+01 -0.138407D+01  0.140222D+01  0.325161D+00 -0.205652D+00
                21            22            23            24            25 
      1   0.325161D+00  0.467726D+01 -0.102862D+01 -0.125898D+00 -0.832538D+00
      2  -0.205652D+00 -0.102862D+01  0.234120D+01  0.923304D+00 -0.963835D+00
      3  -0.869291D+00 -0.125898D+00  0.923304D+00  0.191912D+01  0.455052D-01
                26            27            28            29            30 
      1  -0.963835D+00  0.455052D-01 -0.117395D+02  0.560196D+01 -0.271853D+00
      2   0.119135D+01  0.352141D+01  0.560196D+01 -0.587109D+01  0.245961D+00
      3   0.352141D+01 -0.213458D+01 -0.271853D+00  0.245961D+00 -0.173105D+01
                31            32            33            34            35 
      1   0.972467D+01  0.153231D+01 -0.727204D+00 -0.164595D+01 -0.973618D+00
      2   0.153231D+01  0.230465D+01 -0.196781D+00 -0.973618D+00 -0.687777D-01
      3  -0.727204D+00 -0.196781D+00  0.349722D+00 -0.305405D+01  0.178725D+01
                36            37            38            39            40 
      1  -0.305405D+01 -0.127540D+01 -0.429019D+01  0.502707D+00 -0.131559D+02
      2   0.178725D+01 -0.429019D+01 -0.659112D+01  0.380329D+00 -0.249868D+01
      3  -0.953449D+00  0.502707D+00  0.380329D+00 -0.133078D+01 -0.451568D+00
                41            42            43            44            45 
      1  -0.249868D+01 -0.451568D+00  0.275808D+01 -0.168738D+00 -0.200554D+01
      2  -0.543305D+01 -0.280487D+00 -0.168738D+00 -0.722291D+00 -0.284077D+01
      3  -0.280487D+00 -0.789398D+00 -0.200554D+01 -0.284077D+01  0.521271D+00
                46            47            48            49            50 
      1  -0.329647D+01  0.385922D+01 -0.310183D+00 -0.422492D+01  0.678956D+00
      2   0.385922D+01  0.260713D+01  0.348657D+00  0.678956D+00 -0.164680D+01
      3  -0.310183D+00  0.348657D+00 -0.430615D+00 -0.450581D-03 -0.829201D+00
                51            52            53            54            55 
      1  -0.450581D-03  0.558599D+00  0.507039D+00  0.136961D+01  0.169662D+01
      2  -0.829201D+00  0.507039D+00 -0.128221D+01 -0.344982D+01 -0.706255D+00
      3  -0.216573D+01  0.136961D+01 -0.344982D+01  0.204172D+01 -0.370592D+00
                56            57            58            59            60 
      1  -0.706255D+00 -0.370592D+00 -0.247851D+01  0.455469D+01  0.149676D+01
      2   0.312413D+01  0.176807D+01  0.455469D+01 -0.171080D+01  0.187655D+01
      3   0.176807D+01  0.201900D+01  0.149676D+01  0.187655D+01 -0.395227D+01
                61            62            63            64            65 
      1  -0.237069D+01  0.211352D+01  0.355557D+01  0.675269D+01 -0.257750D+01
      2   0.211352D+01  0.563464D+00 -0.508404D+01 -0.257750D+01 -0.179818D+01
      3   0.355557D+01 -0.508404D+01  0.118057D+01 -0.543060D-01 -0.103287D+01
                66            67            68            69            70 
      1  -0.543060D-01 -0.407505D+01 -0.980475D+00 -0.103167D+01 -0.432737D+00
      2  -0.103287D+01 -0.980475D+00  0.183975D+00 -0.151669D+01 -0.341487D+00
      3  -0.226125D+01 -0.103167D+01 -0.151669D+01  0.155065D+01  0.111140D-01
                71            72            73            74            75 
      1  -0.341487D+00  0.111140D-01 -0.608108D+01 -0.629502D+00  0.101014D+01
      2  -0.102494D+01  0.363369D+01 -0.629502D+00  0.112835D+01  0.937338D+00
      3   0.363369D+01  0.642868D+01  0.101014D+01  0.937338D+00  0.310558D+00
                76            77            78            79            80 
      1   0.736693D+00 -0.168333D+01  0.571090D+00  0.125128D+01 -0.431248D-01
      2  -0.168333D+01 -0.310394D+01  0.123877D+01 -0.431248D-01  0.136611D+01
      3   0.571090D+00  0.123877D+01  0.909872D-01 -0.127858D+01 -0.205558D+01
                81            82            83            84            85 
      1  -0.127858D+01  0.268536D+01 -0.116408D+00  0.361322D-01  0.144480D+01
      2  -0.205558D+01 -0.116408D+00 -0.105805D+01 -0.299830D+00  0.389169D+01
      3   0.154790D+00  0.361322D-01 -0.299830D+00 -0.744845D+00  0.445376D+00
                86            87            88            89            90 
      1   0.389169D+01  0.445376D+00  0.575896D+00  0.108014D+01  0.122033D+01
      2   0.846948D+01  0.725060D+00  0.108014D+01  0.220885D+01  0.649740D+01
      3   0.725060D+00  0.358889D+01  0.122033D+01  0.649740D+01  0.880862D+00
                91            92            93            94            95 
      1   0.776839D+01  0.439874D+01 -0.362750D+00  0.440089D+01  0.410361D+01
      2   0.439874D+01  0.312896D+01 -0.213144D+00  0.410361D+01  0.431773D+01
      3  -0.362750D+00 -0.213144D+00  0.636079D+00 -0.573296D+00 -0.472774D+00
                96            97            98            99           100 
      1  -0.573296D+00 -0.276449D+00 -0.424620D+00 -0.742274D-01  0.120434D+02
      2  -0.472774D+00 -0.424620D+00 -0.678186D+00 -0.183812D-01 -0.291292D+01
      3   0.566481D+00 -0.742274D-01 -0.183812D-01 -0.995982D-01  0.124735D+01
               101           102           103           104           105 
      1  -0.291292D+01  0.124735D+01 -0.292238D+01  0.229735D+01 -0.626713D+00
      2   0.139382D+01 -0.315252D+00  0.229735D+01 -0.132777D+01  0.321393D+00
      3  -0.315252D+00  0.901678D+00 -0.626713D+00  0.321393D+00 -0.347477D+00
               106           107           108           109           110 
      1   0.156790D+01 -0.646812D+00  0.229990D-01 -0.482938D+00  0.130057D+01
      2  -0.646812D+00  0.425625D+00 -0.603363D-01  0.130057D+01 -0.980631D+00
      3   0.229990D-01 -0.603363D-01  0.161271D+00 -0.225662D+00  0.284630D+00
               111           112           113           114           115 
      1  -0.225662D+00  0.107332D+01 -0.534671D+00  0.442583D-01 -0.218188D+00
      2   0.284630D+00 -0.534671D+00  0.946917D+01 -0.172244D+01  0.267771D+00
      3  -0.859135D-01  0.442583D-01 -0.172244D+01  0.110622D+01  0.448290D-01
               116           117           118           119           120 
      1   0.267771D+00  0.448290D-01  0.104905D+01 -0.166680D+01  0.352314D+00
      2  -0.191337D+01  0.420353D+00 -0.166680D+01  0.167888D+01 -0.329399D+00
      3   0.420353D+00 -0.223528D+00  0.352314D+00 -0.329399D+00  0.324906D+00
               121           122           123           124           125 
      1  -0.161315D+01  0.240177D+01 -0.463642D+00  0.240518D+00 -0.510381D+00
      2   0.240177D+01 -0.983643D+01  0.171750D+01 -0.510381D+00  0.194166D+01
      3  -0.463642D+00  0.171750D+01 -0.109496D+01  0.174567D+00 -0.419904D+00
               126           127           128           129           130 
      1   0.174567D+00 -0.226297D+00  0.873934D+00 -0.109501D+01  0.230314D+01
      2  -0.419904D+00  0.873934D+00 -0.520459D+00  0.793213D-01 -0.195910D+01
      3   0.204493D+00 -0.109501D+01  0.793213D-01 -0.653634D+00  0.471905D+00
               131           132           133           134           135 
      1  -0.195910D+01  0.471905D+00 -0.175553D+01  0.850913D+00 -0.159871D+01
      2   0.433408D+01 -0.242866D+01  0.850913D+00 -0.284138D+01  0.324474D+01
      3  -0.242866D+01  0.280809D+01 -0.159871D+01  0.324474D+01 -0.504040D+01
               136           137           138           139           140 
      1   0.592077D+01 -0.489135D+01  0.245162D+00 -0.247075D+01 -0.202277D+01
      2  -0.489135D+01 -0.102088D+01 -0.224585D+01 -0.202277D+01 -0.875503D+00
      3   0.245162D+00 -0.224585D+01 -0.143526D+01 -0.235346D+01 -0.114598D+01
               141           142           143           144           145 
      1  -0.235346D+01  0.450964D+01 -0.389317D+01 -0.220231D+01 -0.526836D+00
      2  -0.114598D+01 -0.389317D+01  0.659240D+00  0.385297D+01 -0.722311D-01
      3   0.353349D+01 -0.220231D+01  0.385297D+01 -0.681593D+00 -0.940546D+00
               146           147           148           149           150 
      1  -0.722311D-01 -0.940546D+00 -0.153260D+00 -0.182479D+00 -0.369223D+00
      2   0.561248D+00  0.308850D+00 -0.182479D+00 -0.143583D+01 -0.163662D+01
      3   0.308850D+00  0.120744D+01 -0.369223D+00 -0.163662D+01 -0.234256D+01
               151           152           153           154           155 
      1  -0.151022D+01 -0.313205D+00 -0.166754D+01 -0.120001D+02  0.141521D+01
      2  -0.313205D+00 -0.172689D+01 -0.198324D+01  0.141521D+01 -0.122891D+01
      3  -0.166754D+01 -0.198324D+01 -0.882267D+01 -0.112871D+01  0.112118D+00
               156           157           158           159           160 
      1  -0.112871D+01  0.245772D+01 -0.148255D+01  0.371430D+00  0.398247D+00
      2   0.112118D+00 -0.148255D+01  0.871180D+00  0.308851D-02  0.543494D-01
      3  -0.110601D+01  0.371430D+00  0.308851D-02  0.698698D-01 -0.125788D+01
               161           162           163           164           165 
      1   0.543494D-01 -0.125788D+01 -0.627469D+00 -0.999674D+00 -0.928185D+00
      2   0.260530D+00 -0.543879D-01 -0.999674D+00  0.247991D+00 -0.126541D+00
      3  -0.543879D-01 -0.558808D+00 -0.928185D+00 -0.126541D+00 -0.291167D+00
               166           167           168           169           170 
      1  -0.156160D+01 -0.172657D+01 -0.457990D+00 -0.262467D+01 -0.136050D+01
      2  -0.172657D+01 -0.734265D+01 -0.281761D+01 -0.136050D+01 -0.577422D+01
      3  -0.457990D+00 -0.281761D+01 -0.211542D+01 -0.877250D+00 -0.443803D+01
               171           172           173           174           175 
      1  -0.877250D+00  0.252531D-01 -0.457002D+00  0.829854D+00 -0.124805D+01
      2  -0.443803D+01 -0.457002D+00  0.676762D+00 -0.276492D+00 -0.137571D+01
      3  -0.413903D+01  0.829854D+00 -0.276492D+00  0.153688D+00  0.272433D+00
               176           177           178           179           180 
      1  -0.137571D+01  0.272433D+00  0.163877D+01  0.767199D+00 -0.625859D+00
      2  -0.621649D+01  0.270385D+01  0.767199D+00  0.437067D+01 -0.401284D+01
      3   0.270385D+01 -0.240057D+01 -0.625859D+00 -0.401284D+01  0.391880D+01
               181           182           183           184           185 
      1  -0.848930D+00  0.178829D-01  0.743124D+00 -0.937814D+00  0.165020D+00
      2   0.178829D-01  0.654706D-01  0.306706D+00  0.165020D+00 -0.161092D+01
      3   0.743124D+00  0.306706D+00 -0.563020D-01  0.889100D+00  0.101512D+01
               186           187           188           189           190 
      1   0.889100D+00  0.112191D+01  0.340426D+00 -0.985412D+00 -0.102810D+02
      2   0.101512D+01  0.340426D+00  0.154546D+01 -0.124549D+01  0.472008D+01
      3  -0.307902D+01 -0.985412D+00 -0.124549D+01  0.540395D+01  0.749153D+00
               191           192           193           194           195 
      1   0.472008D+01  0.749153D+00  0.369573D+01 -0.265784D+01 -0.649567D-01
      2  -0.318358D+01 -0.415981D+00 -0.265784D+01  0.279047D+01  0.380744D+00
      3  -0.415981D+00 -0.128763D+01 -0.649567D-01  0.380744D+00  0.282392D+00
               196           197           198           199           200 
      1  -0.161499D+01  0.916089D+00 -0.839648D+00  0.148791D+01  0.152547D+01
      2   0.916089D+00 -0.748860D+00  0.174730D+00  0.152547D+01  0.269128D+01
      3  -0.839648D+00  0.174730D+00 -0.176828D+00  0.427028D+00  0.137546D+01
               201           202           203           204           205 
      1   0.427028D+00  0.186224D+01  0.107771D+01  0.552422D+00  0.852718D-01
      2   0.137546D+01  0.107771D+01  0.546073D+01  0.194367D+01  0.658010D+00
      3   0.141001D+01  0.552422D+00  0.194367D+01  0.128268D+01  0.554651D+00
               206           207 
      1   0.658010D+00  0.554651D+00
      2   0.139833D+01  0.975791D+00
      3   0.975791D+00  0.135227D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.715029D+00 -0.970792D+00 -0.415432D+01 -0.171977D+01  0.912588D+00
      2  -0.149388D+01 -0.640738D+00  0.576961D+01  0.257989D+01  0.260969D+01
      3  -0.439176D+01 -0.132360D+02  0.139920D+01  0.726383D+01 -0.725736D+00
                 6             7             8             9            10 
      1  -0.251223D+00 -0.810384D+01  0.592485D+01 -0.189048D+01 -0.550409D+00
      2   0.699177D+01  0.209515D+01  0.111522D+02 -0.293322D+01  0.653762D+00
      3  -0.229577D+01 -0.195287D+01 -0.335131D+01 -0.421987D+01  0.390676D+01
                11            12            13            14            15 
      1  -0.136926D+00  0.229824D+01 -0.248291D+00  0.220592D+01  0.199472D+01
      2   0.651761D-01  0.869721D+01  0.382361D+01 -0.128416D+01 -0.365121D+01
      3  -0.112635D+02  0.413059D+00  0.110404D+02 -0.156445D+00  0.283764D+01
                16            17            18            19            20 
      1   0.518165D+01  0.105367D+02 -0.187350D+01  0.427906D+00  0.117402D+01
      2   0.863974D+01 -0.634384D+01  0.385532D+01  0.317535D+01 -0.347635D+01
      3  -0.273276D+01  0.211811D+01  0.188666D+01  0.550603D+01 -0.559694D+01
                21            22            23            24            25 
      1   0.317685D+01  0.130517D+00 -0.613592D+00 -0.353429D+01  0.246795D+01
      2  -0.212514D+01 -0.170129D+01 -0.358508D+00  0.361836D+01 -0.140589D+02
      3   0.265045D+01  0.453469D+01 -0.931927D+01 -0.241296D+00  0.298153D+01
                26            27            28            29            30 
      1   0.576131D+00  0.131809D+01 -0.719325D+00 -0.463573D+00  0.155623D+01
      2   0.500815D+01 -0.360246D+01 -0.128507D+01  0.252252D+01 -0.237662D+01
      3  -0.167813D+01 -0.734121D+01 -0.100412D+01  0.112585D+02 -0.119025D+01
                31            32            33            34            35 
      1  -0.683279D+00  0.207099D+01 -0.539469D+00  0.244028D+01  0.951456D+01
      2   0.218811D+01 -0.841185D+00  0.615139D-01 -0.149265D+02  0.129454D+01
      3   0.126090D+02 -0.107079D+02 -0.217670D+01  0.130415D+01  0.266229D+01
                36            37            38            39            40 
      1  -0.788544D+00  0.137065D+01 -0.583263D+00 -0.851958D+00 -0.155078D+01
      2  -0.110857D+01  0.113695D+01  0.770096D+00 -0.183872D+01 -0.292685D+01
      3  -0.211502D+01 -0.651923D+01  0.712030D+01 -0.286011D+01  0.115699D+02
                41            42            43            44            45 
      1   0.689490D-01 -0.598866D+00 -0.342679D+01  0.756406D+01 -0.847411D+00
      2   0.317700D+01 -0.682519D+00 -0.140610D+02 -0.615074D+00 -0.766289D+00
      3   0.167364D+02  0.116988D+01  0.312178D+00 -0.211125D+01  0.358770D+01
                46            47            48            49            50 
      1   0.533245D-01  0.466896D+00 -0.164767D+01  0.136073D+01 -0.671538D+00
      2  -0.102610D+01 -0.193123D+01 -0.123435D+01 -0.228738D+01 -0.201942D+01
      3  -0.118573D+01 -0.124791D+02  0.186127D+01 -0.321431D+00  0.628278D+01
                51            52            53            54            55 
      1  -0.334999D+01  0.171939D+01  0.124924D+01  0.677517D+00  0.719001D+00
      2  -0.569876D+01 -0.104600D+02 -0.900180D+01  0.337425D+01 -0.527228D+00
      3   0.938395D+00  0.127466D+01  0.929749D+00  0.699962D+01  0.319577D+01
                56            57            58            59            60 
      1  -0.335204D+01 -0.306435D+01 -0.208570D+01 -0.378045D+01  0.119915D+01
      2  -0.145367D+01  0.605848D+00 -0.353037D+01  0.297629D+00  0.662741D+01
      3  -0.887809D+00  0.199397D+01  0.126239D+02  0.637010D+01  0.672547D+01
                61            62            63            64            65 
      1  -0.705831D+01  0.948909D+01  0.259191D+00  0.295666D+01  0.192184D+01
      2  -0.115587D+02  0.983246D+01  0.129202D+00  0.835947D+01 -0.186851D+01
      3   0.316312D-01  0.679642D+01 -0.509463D+01 -0.112339D+02 -0.764185D+01
                66            67            68            69            70 
      1   0.155505D+01 -0.387363D+00  0.250784D+01  0.190722D+01  0.222332D+01
      2   0.640236D+01 -0.234532D+01  0.207902D+01 -0.625819D+01 -0.232073D+01
      3  -0.338689D+01 -0.560895D+01  0.268402D+01 -0.539766D+01  0.735170D+00
                71            72            73            74            75 
      1   0.169278D+01 -0.228221D+01  0.578603D+00  0.995071D+00  0.637667D+00
      2  -0.106359D+02 -0.166651D+02  0.154966D+01 -0.119371D+01  0.625612D+01
      3  -0.335584D+01  0.802576D+01  0.143047D+02 -0.654956D+01  0.108206D+01
                76            77            78            79            80 
      1  -0.905941D+00  0.197103D+01 -0.772328D+01 -0.446102D+01  0.176219D+01
      2   0.303022D-01 -0.413944D+01 -0.268543D+00 -0.329306D+01  0.562629D+01
      3   0.311150D+01 -0.613203D+01  0.533548D+01 -0.257762D+01  0.754984D+01
                81            82            83            84            85 
      1   0.394252D+01 -0.484408D-01  0.333639D+00 -0.377640D+01  0.134986D+01
      2  -0.127869D+01 -0.250895D+01  0.595444D+00 -0.212050D+01  0.600713D+00
      3  -0.260421D+01 -0.599444D+01  0.523096D+00 -0.974297D+00  0.852366D+01
                86            87            88            89            90 
      1   0.205041D+01  0.927669D+01  0.630820D+01  0.218595D+02  0.171237D+01
      2  -0.250282D+00 -0.628395D+00 -0.561613D+01 -0.496567D+01 -0.263550D+00
      3  -0.531259D+01 -0.755154D+00 -0.267853D+01 -0.283020D+01  0.353613D+01
                91            92            93            94            95 
      1  -0.215580D+00 -0.406437D+00 -0.228606D+01  0.325729D+00 -0.823560D-01
      2   0.445122D+00  0.267054D+00  0.401361D+01 -0.986771D+00 -0.828849D+00
      3  -0.261229D+01 -0.626341D+01  0.829643D-01 -0.509938D+01 -0.910121D+01
                96            97            98            99           100 
      1  -0.239193D+01  0.124648D+01  0.119646D+01  0.195389D+00  0.232787D+00
      2   0.315618D+01 -0.195553D+01 -0.109695D+01 -0.225568D+00  0.189277D+01
      3   0.703145D+00  0.947927D+00  0.133310D+01  0.923551D-01  0.257895D+01
               101           102           103           104           105 
      1   0.398835D+00  0.143011D+01 -0.794442D-01 -0.132883D+00 -0.899394D+00
      2  -0.500659D+00  0.591267D+01 -0.173992D+01  0.842058D+00 -0.205010D+01
      3  -0.595280D+01  0.320486D+00 -0.487445D+01  0.372667D+01 -0.709680D+00
               106           107           108           109           110 
      1  -0.813091D+00  0.590577D+00  0.189839D+00 -0.292499D+00  0.109979D+00
      2  -0.267019D+01  0.640922D+00  0.602877D+00 -0.718028D+00  0.694768D+00
      3   0.111518D+01 -0.121313D+01  0.133988D+00 -0.449006D+01  0.363523D+01
               111           112           113           114           115 
      1   0.643826D+00  0.377605D+00 -0.913835D+00 -0.459048D+01 -0.233373D+00
      2   0.144846D-01  0.101010D+01 -0.246851D+01  0.924923D+00 -0.145612D+01
      3  -0.629322D+00  0.632204D+01 -0.149675D+02  0.273486D+01 -0.132544D+01
               116           117           118           119           120 
      1   0.211148D+01  0.527288D+00  0.206671D-01 -0.159236D+00  0.103623D+01
      2   0.391814D+00 -0.910084D-02  0.441451D+00 -0.233586D+00  0.860601D+00
      3   0.316028D+01 -0.229987D+00  0.173892D+01 -0.838874D+00  0.172929D+00
               121           122           123           124           125 
      1  -0.295657D+00 -0.252807D+00 -0.465952D+01 -0.724996D-01  0.190235D+01
      2  -0.970004D-01  0.322200D+01 -0.256398D+01 -0.128826D+01 -0.194203D-01
      3   0.148558D+01  0.166161D+02 -0.283746D+01 -0.210861D+00 -0.333736D+01
               126           127           128           129           130 
      1   0.661925D+00  0.908338D+00  0.410434D+00  0.926205D+00 -0.164810D+00
      2   0.288063D+00  0.150369D+01  0.400993D-01  0.122316D+01  0.971662D+00
      3   0.386385D-01  0.220373D+01 -0.211418D+01 -0.134524D+01  0.186331D+01
               131           132           133           134           135 
      1  -0.150019D+00 -0.392112D+01  0.206258D+01  0.151203D-03  0.484560D+01
      2   0.256392D+01 -0.418367D+01 -0.692799D+00 -0.426198D+01  0.656084D+01
      3   0.515877D+01 -0.391937D+01 -0.212455D+01 -0.510523D+01  0.444429D+01
               136           137           138           139           140 
      1  -0.632275D+01  0.251970D+01  0.740059D+00  0.542393D+01 -0.687886D+00
      2  -0.714333D+01  0.111117D+02  0.583536D+01  0.101916D+02  0.294978D+01
      3   0.184125D+01 -0.165273D+02 -0.461659D+01 -0.976385D+01 -0.751730D+01
               141           142           143           144           145 
      1  -0.130727D+02  0.950103D+00 -0.813748D+01  0.522077D+01  0.551505D-01
      2  -0.473238D+01  0.273522D+01 -0.560313D+01  0.288668D+01  0.247529D+01
      3  -0.861152D+01 -0.221033D+01 -0.937088D+01  0.460791D+01  0.668973D+00
               146           147           148           149           150 
      1  -0.167256D+01  0.146026D+00 -0.252131D+00  0.256257D+01  0.782009D-01
      2  -0.401965D+00 -0.300247D+01 -0.681594D+00  0.358915D+01  0.496602D+01
      3   0.180589D+01  0.575101D+00  0.270110D+01 -0.371503D+01 -0.347593D+01
               151           152           153           154           155 
      1   0.490909D-01  0.524371D+01  0.585372D+00 -0.107060D+01  0.144168D+01
      2  -0.137373D+01  0.440399D+01  0.197400D+02 -0.760579D+01  0.859361D+00
      3   0.551463D+00 -0.498368D+01 -0.326495D+01  0.463508D+01 -0.755086D+01
               156           157           158           159           160 
      1   0.231880D+00  0.121916D+01 -0.107914D+01 -0.907127D+00 -0.374583D+00
      2   0.524712D+01  0.126037D+01 -0.109927D+01 -0.422154D+00  0.249162D+01
      3   0.482172D+00 -0.291696D+01  0.338182D+01  0.507222D+00  0.604171D+00
               161           162           163           164           165 
      1   0.456516D+00  0.430438D+00 -0.262249D+01  0.427673D-01 -0.665172D+00
      2   0.379431D+00  0.298999D+00 -0.418993D+00 -0.265015D+00  0.157026D+01
      3   0.140687D+01 -0.165764D+00  0.209920D+01  0.121863D+01  0.283548D+01
               166           167           168           169           170 
      1  -0.163619D+01 -0.556282D+01 -0.737563D+01 -0.264274D+01 -0.910345D+01
      2  -0.217723D+00  0.117886D+01  0.132753D+01 -0.468100D+00  0.238712D+01
      3   0.364098D+01 -0.267431D+01 -0.133951D+01  0.748176D+01 -0.878792D+00
               171           172           173           174           175 
      1  -0.109091D+02  0.177081D+01 -0.211576D+00  0.479740D+00  0.104099D+01
      2   0.187334D+01 -0.366426D-01  0.329685D+00  0.485876D+00  0.655899D+00
      3  -0.217060D+01 -0.619732D+00 -0.125811D+01 -0.222744D+01  0.294912D+01
               176           177           178           179           180 
      1   0.464833D+01 -0.695195D+01 -0.188342D+01 -0.738684D+01  0.965539D+01
      2  -0.232233D+01  0.191262D+01 -0.141512D+01  0.270439D+01 -0.291452D+01
      3  -0.231554D+01  0.235842D+01 -0.474838D+01  0.292265D+01 -0.308991D+01
               181           182           183           184           185 
      1  -0.138327D+01 -0.317324D+00  0.684910D+00 -0.126282D+01 -0.664581D+01
      2  -0.586895D+00 -0.486251D+00  0.259841D-01  0.224276D+00 -0.230146D+01
      3  -0.128669D+01 -0.312081D+00  0.172134D+01 -0.174309D+00 -0.416228D+01
               186           187           188           189           190 
      1   0.636121D+01  0.196199D+01  0.713661D+01 -0.118204D+02  0.204195D+01
      2   0.561234D+01 -0.183198D+01  0.266618D+01 -0.965558D+01  0.710821D+01
      3   0.365886D+01  0.245650D+01  0.445003D+01 -0.473172D+01 -0.121435D+02
               191           192           193           194           195 
      1  -0.210815D+01  0.369391D+01 -0.185464D+01  0.161001D+01 -0.125075D+01
      2  -0.277138D+01  0.548350D+01 -0.307121D+01  0.975145D+00 -0.166323D+01
      3  -0.552806D+00  0.299610D+00  0.369415D+01  0.164284D+01  0.811988D+00
               196           197           198           199           200 
      1   0.183559D+01  0.407616D+00  0.466830D+00  0.137449D+01  0.567027D+00
      2   0.111465D+01 -0.355116D+00  0.115876D+01 -0.406636D+01 -0.393468D+01
      3  -0.877507D+00  0.429153D+00 -0.171251D+01  0.100082D+02  0.801581D+01
               201           202           203           204           205 
      1  -0.279100D+01  0.573863D+00  0.186635D+01 -0.260127D+01 -0.583030D+00
      2  -0.190411D+01 -0.395112D+01 -0.557083D+01 -0.239555D+01 -0.234907D+01
      3   0.323979D+01  0.954566D+01  0.130006D+02  0.530012D+01  0.164253D+01
               206           207 
      1   0.861010D+00 -0.217666D+01
      2  -0.238170D+01 -0.266715D+01
      3   0.445731D+01  0.338732D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.112074D+01 -0.187294D+02  0.290731D+01  0.332243D+02  0.141356D+00
      2  -0.276093D+01  0.129379D+02  0.182995D+01 -0.312896D+02 -0.377734D+01
      3   0.388167D+01  0.579147D+01 -0.473726D+01 -0.193473D+01  0.363599D+01
      4  -0.169492D+02  0.174426D+02 -0.432716D+01 -0.726550D+00 -0.170692D+02
      5  -0.250757D+01 -0.264605D+01  0.126422D+02  0.719903D+01  0.691979D+01
      6  -0.244404D+01 -0.164347D+01  0.947181D+01  0.721234D+01  0.304386D+01
                 6             7             8             9            10 
      1   0.146694D+01 -0.920774D+01 -0.168696D+01  0.106396D+02 -0.288281D+01
      2  -0.296963D+01  0.103957D+02  0.426471D+01 -0.144792D+02  0.530328D+00
      3   0.150269D+01 -0.118797D+01 -0.257775D+01  0.383959D+01  0.235248D+01
      4   0.101634D+02  0.286313D+01  0.925499D+01  0.147005D+02  0.816345D+01
      5   0.149354D+02  0.302218D+02  0.163270D+02 -0.692619D+01 -0.603975D+01
      6   0.151042D+01  0.901206D+01  0.110106D+02  0.228358D+01 -0.225473D+00
                11            12            13            14            15 
      1   0.614691D+01 -0.628620D+01 -0.236098D+02 -0.199971D+02  0.617103D+01
      2  -0.299316D+01  0.169428D+01  0.213299D+02  0.194662D+02 -0.762838D+01
      3  -0.315376D+01  0.459192D+01  0.227987D+01  0.530925D+00  0.145734D+01
      4   0.249507D+02  0.334231D+00 -0.204361D+02  0.156036D+02 -0.828961D+01
      5   0.146330D+01  0.187997D+02  0.109586D+02 -0.442829D+01 -0.818735D+01
      6  -0.353795D+00 -0.511982D+01 -0.596858D+01 -0.252542D+01 -0.397391D+01
                16            17            18            19            20 
      1  -0.309649D+01  0.749177D+01  0.166989D+02  0.112104D+02 -0.102940D+01
      2  -0.238552D+01 -0.479065D+01 -0.201437D+02 -0.773793D+01 -0.221488D+01
      3   0.548201D+01 -0.270112D+01  0.344481D+01 -0.347250D+01  0.324429D+01
      4   0.123265D+02 -0.492869D+01 -0.548679D+01  0.580051D+01 -0.269677D+02
      5   0.375658D+02 -0.853899D+01  0.768087D+01  0.370846D+01  0.206569D+01
      6  -0.387698D+01  0.637203D+01  0.271372D+01  0.214458D+01 -0.118021D+01
                21            22            23            24            25 
      1   0.126872D+01  0.830810D+01  0.886788D+01 -0.476617D+01  0.868360D+00
      2  -0.232624D+01 -0.140732D+01 -0.153156D+02  0.752566D+01 -0.154889D+01
      3   0.105752D+01 -0.690078D+01  0.644773D+01 -0.275949D+01  0.680530D+00
      4   0.366525D+01  0.182830D+02  0.102002D+02  0.666041D+00 -0.178015D+01
      5  -0.612678D+01 -0.152543D+01  0.262923D+00  0.563679D+01  0.304488D+01
      6  -0.588652D+01 -0.175174D+01  0.104815D+02  0.633437D+01  0.927217D+00
                26            27            28            29            30 
      1  -0.408557D+01 -0.139784D+02 -0.333669D+02  0.137741D+02 -0.206812D+01
      2   0.963421D+01  0.251274D+00  0.197519D+02 -0.696020D+01 -0.286854D+00
      3  -0.554863D+01  0.137271D+02  0.136150D+02 -0.681390D+01  0.235497D+01
      4  -0.255200D+01  0.118717D+02 -0.108491D+02  0.924370D+01 -0.311313D+00
      5   0.109979D+02 -0.781107D+01 -0.315175D+01  0.120643D+01 -0.323420D+01
      6   0.141319D+02 -0.516437D+01  0.235494D+01  0.134823D+00 -0.200703D+01
                31            32            33            34            35 
      1   0.144639D+02 -0.150361D+01  0.715764D+00 -0.690146D+01  0.245127D+01
      2  -0.577099D+01  0.515421D+01 -0.299658D+01 -0.912070D+00 -0.112252D+01
      3  -0.869292D+01 -0.365060D+01  0.228082D+01  0.781353D+01 -0.132875D+01
      4  -0.313339D+01  0.633679D+01 -0.127874D+01  0.449826D+01 -0.243922D+01
      5   0.240697D+01 -0.855541D+00 -0.491671D+00  0.155211D+01  0.160585D+00
      6  -0.640047D+01 -0.226947D+01  0.237589D+01 -0.114424D+01  0.763531D+01
                36            37            38            39            40 
      1  -0.115559D+02 -0.164125D+02 -0.276970D+02  0.279964D+01 -0.182818D+02
      2  -0.445464D-01  0.139346D+02  0.201266D+02  0.557156D+00  0.701234D+01
      3   0.116004D+02  0.247793D+01  0.757034D+01 -0.335679D+01  0.112694D+02
      4  -0.264926D+01 -0.502303D+01  0.960381D-01 -0.937733D+00 -0.168616D+00
      5  -0.119824D+01  0.261885D+01  0.111781D+01 -0.168446D+01  0.409341D+00
      6   0.601815D+00 -0.279161D+01 -0.271308D+00  0.102847D+01  0.808283D+01
                41            42            43            44            45 
      1  -0.106877D+02 -0.352092D+00  0.151960D+01 -0.241276D+01 -0.148893D+02
      2   0.113912D+02 -0.738884D+00  0.247565D+01  0.253067D+01  0.423720D+01
      3  -0.703501D+00  0.109098D+01 -0.399526D+01 -0.117908D+00  0.106521D+02
      4  -0.664049D+01  0.264731D+01  0.765827D+00  0.188180D+01 -0.170423D+01
      5   0.305519D+01 -0.477150D+00  0.187880D+01 -0.274633D+01 -0.204630D+00
      6  -0.972049D-01  0.122882D+01 -0.624473D+00  0.110610D+02  0.163593D+01
                46            47            48            49            50 
      1   0.110774D+02  0.190128D+02 -0.135054D+00 -0.206907D+02  0.134091D+02
      2  -0.113019D+02 -0.133566D+02  0.101320D+01  0.170831D+02 -0.201772D+02
      3   0.224519D+00 -0.565622D+01 -0.878142D+00  0.360765D+01  0.676804D+01
      4   0.718512D+01 -0.199246D+02  0.444361D+01  0.136055D+02 -0.444799D+01
      5  -0.326525D+01  0.212616D+01 -0.489705D+01 -0.664824D+00 -0.435947D+01
      6   0.471044D+01 -0.984366D+00  0.235756D+01 -0.257881D+01  0.104300D+02
                51            52            53            54            55 
      1  -0.388084D+01  0.380713D+01 -0.192508D+01 -0.693921D+01  0.205074D+02
      2   0.707533D+01 -0.464948D+01  0.879326D+01 -0.407876D+01 -0.101628D+02
      3  -0.319448D+01  0.842352D+00 -0.686818D+01  0.110180D+02 -0.103446D+02
      4  -0.397231D+01  0.114076D+01 -0.755784D+01 -0.151863D+02 -0.371814D+01
      5  -0.107959D+02  0.834623D+01 -0.155061D+02  0.662423D+01  0.210353D+01
      6   0.672890D+01 -0.493059D+01  0.133651D+02 -0.300888D+01 -0.365407D+01
                56            57            58            59            60 
      1  -0.145300D+02 -0.428575D+01 -0.191722D+02  0.395535D+01 -0.848352D+01
      2   0.112873D+02  0.460328D+01  0.125787D+02  0.139402D+01  0.698926D+01
      3   0.324264D+01 -0.317527D+00  0.659349D+01 -0.534937D+01  0.149425D+01
      4  -0.758959D+01 -0.463134D+01 -0.143468D+02  0.790940D+01 -0.487410D+01
      5  -0.655887D+01 -0.695976D+01 -0.900501D+01 -0.648914D+01  0.137183D+02
      6   0.426844D+01  0.462962D+01  0.776111D+00  0.689236D+01 -0.167698D+02
                61            62            63            64            65 
      1  -0.840823D+00 -0.736059D+01  0.110667D+02 -0.474372D+02  0.144366D+02
      2   0.474053D+01  0.553549D+00 -0.100484D+02  0.241669D+02 -0.986848D+01
      3  -0.389971D+01  0.680705D+01 -0.101831D+01  0.232703D+02 -0.456808D+01
      4  -0.124237D+02  0.298934D+01  0.204291D+02  0.156050D+02  0.377655D+01
      5  -0.158534D+02  0.192258D+02 -0.173833D+01 -0.700776D+01  0.637019D+01
      6   0.164163D+02 -0.230393D+02  0.898576D+01  0.273036D+01  0.141653D+01
                66            67            68            69            70 
      1  -0.492414D+01  0.196282D+02  0.846397D+01  0.854748D+01  0.162840D+01
      2  -0.208433D+01 -0.117869D+02 -0.116920D+02  0.276664D+00  0.124017D+01
      3   0.700847D+01 -0.784125D+01  0.322807D+01 -0.882414D+01 -0.286858D+01
      4   0.423648D+01 -0.109008D+01  0.222371D+00  0.686890D+01  0.544340D+01
      5   0.724898D+01  0.101301D+02  0.846351D+01 -0.477538D+01 -0.155670D+01
      6   0.704258D+00  0.247387D+01 -0.518301D+00 -0.458769D+01 -0.275640D+01
                71            72            73            74            75 
      1   0.302528D+01  0.149068D+02  0.312882D+02  0.883629D+01  0.667666D+00
      2   0.939874D+01  0.145171D+02 -0.177551D+02 -0.612514D+01 -0.145915D+01
      3  -0.124240D+02 -0.294240D+02 -0.135331D+02 -0.271115D+01  0.791484D+00
      4   0.384354D+00 -0.138263D+02  0.134956D+02  0.115945D+02 -0.499078D+01
      5  -0.135635D+02 -0.257326D+02 -0.537819D+01 -0.316790D+01  0.101670D+02
      6  -0.159079D+01 -0.111545D+02 -0.983075D+00 -0.716164D+01 -0.442626D+01
                76            77            78            79            80 
      1  -0.770853D+01 -0.682455D+01  0.621898D+00 -0.659695D+01 -0.536454D+00
      2   0.892310D+01  0.153427D+02  0.149732D+01  0.457437D+01 -0.389189D+01
      3  -0.121457D+01 -0.851819D+01 -0.211922D+01  0.202258D+01  0.442835D+01
      4   0.123838D+02  0.105893D+02 -0.664266D+01 -0.601230D+01 -0.642200D+01
      5  -0.455805D+01 -0.614411D+01 -0.242788D+01  0.104933D+02  0.765642D+01
      6  -0.601639D+00 -0.241066D+01  0.106533D+02  0.375191D+01  0.102912D+02
                81            82            83            84            85 
      1  -0.727846D+01 -0.134726D+02 -0.414246D+01 -0.601191D+00  0.205332D+02
      2  -0.410638D+01  0.108554D+02  0.652062D+01  0.226501D+01 -0.180547D+02
      3   0.113848D+02  0.261718D+01 -0.237816D+01 -0.166382D+01 -0.247853D+01
      4   0.930383D+01  0.882649D+00 -0.208850D+01  0.207278D+01 -0.715808D+00
      5  -0.302993D+01 -0.148789D+01  0.956705D+00 -0.732078D+01 -0.233508D+01
      6  -0.216569D+01 -0.608100D+00  0.128358D+01  0.887778D+01 -0.345098D+01
                86            87            88            89            90 
      1   0.393421D+02  0.182500D+01  0.560686D+01  0.660318D+01  0.309118D+02
      2  -0.368758D+02 -0.239189D+01 -0.594788D+01 -0.922564D+01 -0.295864D+02
      3  -0.246624D+01  0.566898D+00  0.341013D+00  0.262245D+01 -0.132538D+01
      4  -0.633318D+01 -0.246176D+01 -0.303290D+01 -0.413285D+01 -0.826986D+01
      5  -0.333352D+01 -0.406282D+01 -0.280626D+01 -0.101081D+02 -0.137909D+01
      6  -0.460827D+01 -0.265849D+02 -0.794801D+01 -0.434595D+02 -0.427977D+01
                91            92            93            94            95 
      1   0.479240D+02  0.234618D+02 -0.218834D+01  0.201269D+02  0.141156D+02
      2  -0.187286D+02 -0.603755D+01  0.103925D+01 -0.162200D+01  0.353439D+01
      3  -0.291954D+02 -0.174243D+02  0.114910D+01 -0.185049D+02 -0.176500D+02
      4   0.447002D+02  0.318312D+02 -0.212303D+01  0.374201D+02  0.361963D+02
      5  -0.508719D+01 -0.258541D+01  0.727477D+01 -0.532412D+01 -0.452731D+01
      6  -0.803591D+00 -0.677344D+00  0.297121D+01 -0.232541D+01 -0.202862D+01
                96            97            98            99           100 
      1  -0.189245D+01 -0.571096D+00 -0.582123D+00  0.198918D+00  0.925185D+02
      2   0.960061D+00 -0.902609D+00 -0.997103D+00  0.633548D+00 -0.508385D+02
      3   0.932386D+00  0.147371D+01  0.157923D+01 -0.832466D+00 -0.416801D+02
      4  -0.374193D+01 -0.389874D+01 -0.388680D+01  0.180074D+01 -0.313172D+02
      5   0.496193D+01  0.117990D+01  0.653468D+00 -0.546705D+00  0.119042D+02
      6   0.421673D+01  0.655856D+00  0.134438D+01 -0.967802D+00 -0.524696D+00
               101           102           103           104           105 
      1  -0.208352D+02  0.830501D+01 -0.193307D+02  0.131373D+02 -0.316962D+01
      2   0.102029D+02 -0.549275D+01  0.828232D+01 -0.515120D+01  0.218184D+01
      3   0.106323D+02 -0.281226D+01  0.110484D+02 -0.798613D+01  0.987777D+00
      4   0.157737D+02 -0.296937D+01  0.221776D+02 -0.121161D+02  0.273503D+01
      5  -0.276331D+01  0.103933D+02 -0.535057D+01  0.282952D+01 -0.317989D+01
      6   0.694254D+00 -0.166860D+01  0.151839D+01 -0.704738D+00  0.233729D+01
               106           107           108           109           110 
      1   0.103690D+02 -0.334857D+01  0.217422D+01 -0.385659D+01  0.649692D+01
      2  -0.543051D+01  0.150278D+01 -0.112817D+01  0.528849D+01 -0.602540D+01
      3  -0.493850D+01  0.184579D+01 -0.104605D+01 -0.143190D+01 -0.471525D+00
      4  -0.633913D+01  0.313684D+01 -0.178530D+01  0.867491D+00  0.669264D+01
      5   0.222779D+01 -0.625247D+00  0.194610D+01 -0.327453D+00 -0.615781D+00
      6  -0.454547D+00  0.940583D+00 -0.812835D+00 -0.150607D+01  0.206634D+01
               111           112           113           114           115 
      1  -0.177367D+01  0.362882D+01 -0.366102D+02  0.710947D+01 -0.114255D+01
      2   0.118413D+01 -0.294569D+01  0.508989D+02 -0.723851D+01  0.124345D+01
      3   0.589536D+00 -0.683133D+00 -0.142887D+02  0.129043D+00 -0.100899D+00
      4  -0.771930D+00  0.549883D+01  0.184535D+02 -0.383856D+01 -0.928577D+00
      5   0.140190D+01 -0.801590D+00 -0.453114D+01  0.210836D+01  0.627481D+00
      6  -0.945479D+00  0.282897D+00 -0.134158D+02  0.906710D+01 -0.173739D+00
               116           117           118           119           120 
      1   0.731635D+01 -0.299531D+01  0.149533D+01 -0.303471D+01  0.545846D+00
      2  -0.913414D+01  0.342443D+01  0.323681D+01 -0.268462D+01  0.952872D-01
      3   0.181779D+01 -0.429117D+00 -0.473214D+01  0.571933D+01 -0.641133D+00
      4  -0.302362D+01 -0.225687D+00 -0.105275D+02  0.152290D+02 -0.272868D+01
      5   0.440622D+00 -0.693043D-02  0.178540D+01 -0.246772D+01  0.285534D+01
      6   0.499459D+01 -0.286522D+01 -0.175848D+01  0.180502D+01 -0.174975D+01
               121           122           123           124           125 
      1   0.123438D+01 -0.241611D+02  0.419105D+01  0.187755D+00  0.435320D+01
      2  -0.805871D+01  0.438464D+02 -0.526265D+01  0.847753D+00 -0.737373D+01
      3   0.682433D+01 -0.196853D+02  0.107160D+01 -0.103551D+01  0.302054D+01
      4   0.170374D+02 -0.419696D+02  0.733352D+01 -0.350575D+01  0.864513D+01
      5  -0.281583D+01  0.660073D+01 -0.463118D+01  0.120032D+01 -0.159661D+01
      6   0.284197D+01 -0.110196D+02  0.865622D+01 -0.118737D+01  0.483397D+01
               126           127           128           129           130 
      1  -0.253471D+01  0.712292D+00 -0.125726D+01  0.262551D+01  0.391656D+01
      2   0.332322D+01 -0.581662D+00  0.186390D+00 -0.195787D+01 -0.402795D+01
      3  -0.788511D+00 -0.130630D+00  0.107087D+01 -0.667639D+00  0.111392D+00
      4  -0.183828D+01 -0.397500D+01  0.688818D+01 -0.345320D+01  0.102289D+02
      5   0.119471D+01  0.455750D+01 -0.260578D+01  0.726977D+01 -0.311211D+01
      6  -0.280483D+01 -0.528297D+01  0.941763D+00 -0.186747D+01  0.396615D+01
               131           132           133           134           135 
      1  -0.138278D+02  0.893062D+01 -0.469405D+00  0.106633D+02 -0.151898D+02
      2   0.141002D+02 -0.724959D+01 -0.829866D+00 -0.515669D+01  0.288298D+00
      3  -0.272480D+00 -0.168104D+01  0.129927D+01 -0.550662D+01  0.149015D+02
      4  -0.143722D+02  0.698136D+01 -0.540883D+01  0.885324D+01 -0.100009D+02
      5   0.734154D+01 -0.914591D+01  0.100002D+02 -0.103274D+02  0.153807D+02
      6  -0.157911D+02  0.170775D+02 -0.741402D+01  0.181533D+02 -0.224916D+02
               136           137           138           139           140 
      1  -0.207461D+02  0.304169D+02  0.729852D+01  0.293420D+02  0.662525D+01
      2  -0.790046D+01 -0.176068D+02 -0.914253D+01 -0.152773D+02 -0.864672D+01
      3   0.286466D+02 -0.128101D+02  0.184401D+01 -0.140647D+02  0.202147D+01
      4   0.385971D+02 -0.163004D+02  0.554475D+01 -0.825021D+01 -0.322425D+01
      5   0.398537D+01  0.380577D+00  0.562167D+01  0.312956D+01  0.245722D+00
      6  -0.269746D+01 -0.110069D+02 -0.686666D+01 -0.101063D+02 -0.578450D+01
               141           142           143           144           145 
      1   0.279456D+01  0.538572D+01  0.311153D+01 -0.292266D+01  0.290909D+01
      2  -0.177321D+02 -0.876106D+01 -0.123799D+02  0.142837D+02 -0.388716D+01
      3   0.149375D+02  0.337534D+01  0.926833D+01 -0.113610D+02  0.978067D+00
      4  -0.798150D+00  0.177308D+02 -0.801946D+01 -0.192048D+02  0.150975D+00
      5  -0.164425D+02  0.109990D+02 -0.190957D+02  0.872236D+00  0.368183D+01
      6   0.727268D+01 -0.143199D+02  0.119184D+02  0.636078D+01  0.125176D+01
               146           147           148           149           150 
      1   0.763748D+00  0.748328D+01  0.512324D+00 -0.635530D+01 -0.614060D+01
      2   0.324501D+00  0.199466D+00 -0.135182D+01  0.152848D+01 -0.214377D+01
      3  -0.108825D+01 -0.768274D+01  0.839495D+00  0.482683D+01  0.828438D+01
      4  -0.992858D+00  0.567990D+00  0.334504D+01  0.598872D+01  0.675918D+01
      5   0.555477D-01  0.596289D+00  0.338539D+01  0.593143D+01  0.940748D+01
      6  -0.871544D+00 -0.146691D+01  0.137721D+01  0.673326D+01  0.115552D+02
               151           152           153           154           155 
      1   0.448631D+01 -0.425547D+01 -0.173219D+02  0.776479D+02 -0.884349D+01
      2  -0.751799D+01 -0.279361D+01 -0.223741D+02 -0.437528D+02  0.485812D+01
      3   0.303168D+01  0.704908D+01  0.396961D+02 -0.338951D+02  0.398537D+01
      4   0.274449D+01  0.786065D+01  0.867232D+01 -0.856823D+01  0.107105D+02
      5   0.131340D+02  0.799982D+01  0.355011D+02  0.174732D+02 -0.218260D+01
      6   0.233613D+01  0.764342D+01  0.126322D+02 -0.137419D+01  0.139659D+01
               156           157           158           159           160 
      1   0.599541D+01 -0.143887D+02  0.766450D+01 -0.229441D+01 -0.216877D+01
      2  -0.548409D+01  0.805866D+01 -0.277944D+01  0.992549D+00 -0.361763D+00
      3  -0.511327D+00  0.633007D+01 -0.488506D+01  0.130186D+01  0.253053D+01
      4  -0.645331D+00  0.128086D+02 -0.573813D+01  0.498144D+00 -0.494560D+00
      5   0.109953D+02 -0.463590D+01  0.124018D+01 -0.180732D+01  0.106882D+02
      6  -0.463370D+00  0.224730D+01 -0.122322D+01  0.226990D+01 -0.835889D+00
               161           162           163           164           165 
      1  -0.245889D+00  0.550476D+01 -0.424674D+00  0.246102D+01  0.812037D+00
      2  -0.814297D+00 -0.548966D+01  0.149823D+01 -0.225238D+01 -0.131726D+01
      3   0.106019D+01 -0.151012D-01 -0.107356D+01 -0.208644D+00  0.505228D+00
      4  -0.934837D+00 -0.331850D+00  0.295297D+01  0.772855D+01  0.454845D+01
      5  -0.664855D+00  0.313113D+01  0.187292D+01  0.300047D+01  0.543285D+01
      6   0.132217D+01  0.313614D+00  0.634993D+01  0.790852D+00  0.133697D+01
               166           167           168           169           170 
      1  -0.433717D+01 -0.312983D+02 -0.114282D+02 -0.248688D+01 -0.250993D+02
      2   0.607477D+01  0.396681D+02  0.136864D+02  0.327813D+01  0.267332D+02
      3  -0.173760D+01 -0.836978D+01 -0.225815D+01 -0.791258D+00 -0.163389D+01
      4   0.693817D+01  0.106238D+02  0.399356D+01  0.840448D+01  0.829250D+01
      5   0.257037D+01  0.422698D+01  0.345515D+01  0.542557D+01  0.737809D+01
      6   0.348861D+01  0.214546D+02  0.173148D+02  0.665031D+01  0.314750D+02
               171           172           173           174           175 
      1  -0.215140D+02  0.267719D+00  0.355843D+01 -0.298552D+01 -0.423158D+01
      2   0.162339D+02  0.149926D+00 -0.374455D+01  0.191784D+01  0.507212D+01
      3   0.528013D+01 -0.417645D+00  0.186124D+00  0.106768D+01 -0.840536D+00
      4   0.611721D+01  0.800836D+00  0.652668D+01 -0.424356D+01  0.551862D+01
      5   0.609014D+01 -0.107856D+01 -0.244973D+01  0.372244D+01 -0.160067D+01
      6   0.254849D+02 -0.518355D+01  0.216462D+01 -0.124232D+01 -0.216711D+01
               176           177           178           179           180 
      1  -0.269254D+02  0.121773D+02  0.108687D+01  0.199827D+02 -0.206537D+02
      2   0.327184D+02 -0.134817D+02 -0.138707D+01 -0.198183D+02  0.141942D+02
      3  -0.579294D+01  0.130444D+01  0.300198D+00 -0.164379D+00  0.645948D+01
      4   0.774082D+01 -0.299338D+01 -0.598657D+01 -0.536444D+01  0.474530D+01
      5  -0.384365D+01  0.370112D+01  0.400052D+01  0.635071D+01 -0.537187D+01
      6  -0.194659D+02  0.176754D+02  0.502822D+01  0.269526D+02 -0.231019D+02
               181           182           183           184           185 
      1   0.362443D+01 -0.168747D+01 -0.397768D+01  0.113831D+01 -0.745532D+00
      2  -0.322579D+01  0.426365D+00  0.367083D+01 -0.255801D+01 -0.519402D+01
      3  -0.398637D+00  0.126110D+01  0.306849D+00  0.141970D+01  0.593956D+01
      4  -0.262647D+01  0.232452D+01  0.249176D+00 -0.219176D+00  0.741932D+01
      5  -0.450125D+01 -0.153959D+01  0.449495D+01 -0.590955D+01 -0.354841D+01
      6   0.677308D+00  0.114171D+01  0.564267D+00  0.153200D+01 -0.250130D+01
               186           187           188           189           190 
      1   0.204514D+01 -0.403700D+01 -0.905016D+00 -0.778104D+01  0.443327D+02
      2   0.118745D+02  0.614045D+01  0.999993D+01 -0.196488D+02 -0.961270D+01
      3  -0.139196D+02 -0.210346D+01 -0.909491D+01  0.274298D+02 -0.347200D+02
      4  -0.355299D+01  0.119069D+01 -0.573210D+01  0.541218D+01 -0.511095D+02
      5   0.121025D+02  0.867265D+01  0.499755D+01 -0.203841D+02 -0.140293D+02
      6  -0.208694D+01 -0.136260D+01  0.284423D+01  0.738538D+01  0.552515D+01
               191           192           193           194           195 
      1  -0.137201D+02  0.620139D-01 -0.106948D+02  0.284913D+01 -0.900603D+00
      2  -0.416183D+01  0.202882D+01 -0.399780D+01  0.922646D+01  0.116865D+01
      3   0.178819D+02 -0.209084D+01  0.146925D+02 -0.120756D+02 -0.268050D+00
      4   0.317258D+02  0.290904D+01  0.259861D+02 -0.213964D+02 -0.134172D+01
      5   0.644494D+01  0.998665D+01  0.459120D+01 -0.336552D+01 -0.263057D+01
      6  -0.424909D+01 -0.658328D+01 -0.221463D+01  0.386587D+01  0.366976D+01
               196           197           198           199           200 
      1   0.450820D+01 -0.121162D+01  0.358540D+01 -0.658465D+01 -0.170691D+02
      2   0.126731D+01 -0.118310D+01 -0.255003D+01  0.922837D+01  0.187659D+02
      3  -0.577551D+01  0.239472D+01 -0.103537D+01 -0.264372D+01 -0.169678D+01
      4  -0.702761D+01  0.462729D+01 -0.370549D+01  0.305384D+01  0.220660D+01
      5   0.675264D+01 -0.177972D+01  0.332315D+00  0.281844D+01  0.589940D+00
      6  -0.427493D+01  0.262006D+01 -0.120813D+01  0.409289D+01  0.102952D+02
               201           202           203           204           205 
      1  -0.801497D+01 -0.120061D+02 -0.268869D+02 -0.107510D+02 -0.370023D+01
      2   0.568741D+01  0.105238D+02  0.358433D+02  0.105321D+02  0.266602D+01
      3   0.232755D+01  0.148233D+01 -0.895643D+01  0.218913D+00  0.103421D+01
      4  -0.243315D+00  0.726310D+01 -0.638409D+01 -0.221277D+01 -0.269566D+00
      5  -0.108026D+01  0.285814D+01 -0.169142D+01 -0.971513D+00  0.161298D+01
      6   0.835155D+01  0.441377D+01  0.176577D+02  0.116589D+02  0.411818D+01
               206           207 
      1  -0.880652D+01 -0.853275D+01
      2   0.780717D+01  0.389140D+01
      3   0.999351D+00  0.464135D+01
      4  -0.932278D+00  0.116213D+01
      5  -0.430034D-01 -0.177615D+01
      6   0.100574D+02  0.782288D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.426765D+00      0.108473D+01      0.361827D+01
   x          0.226347D+00      0.575317D+00      0.191905D+01
   y          0.189666D+00      0.482084D+00      0.160806D+01
   z         -0.308094D+00     -0.783097D+00     -0.261213D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114610D+03      0.169835D+02      0.188967D+02
   aniso      0.540530D+02      0.800982D+01      0.891213D+01
   xx         0.139945D+03      0.207377D+02      0.230738D+02
   yx        -0.282459D+01     -0.418560D+00     -0.465711D+00
   yy         0.123418D+03      0.182887D+02      0.203489D+02
   zx         0.287768D+01      0.426428D+00      0.474465D+00
   zy        -0.388014D+01     -0.574978D+00     -0.639749D+00
   zz         0.804671D+02      0.119240D+02      0.132672D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.122629D+03      0.181717D+02      0.202187D+02
   aniso      0.556789D+02      0.825076D+01      0.918021D+01
   xx         0.149408D+03      0.221400D+02      0.246341D+02
   yx        -0.240749D+01     -0.356753D+00     -0.396941D+00
   yy         0.130878D+03      0.193941D+02      0.215788D+02
   zx         0.264774D+01      0.392354D+00      0.436553D+00
   zy        -0.380498D+01     -0.563840D+00     -0.627357D+00
   zz         0.875999D+02      0.129810D+02      0.144433D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.66220243         -0.83929219          3.54989462
     6          4.66476626          1.25623974          2.31679814
     6          1.31896453         -1.76693413          2.83444931
     6         -0.06333214         -0.63268118          0.89704235
     6          0.94850526          1.47008224         -0.33271392
     6          3.30472591          2.39897540          0.39150176
     6         -2.60382006         -1.68251464          0.10436484
     6         -4.06600245          0.33679553         -1.34717779
     8         -2.56923868          1.34538785         -3.33249771
     6         -0.52623406          2.78670377         -2.39072981
     1          4.70441885         -1.74128215          5.06108897
     1          6.49630156          1.99076441          2.85463850
     1          0.53275239         -3.39560187          3.79687613
     1          4.08091096          4.03222583         -0.57264486
     1         -3.67930483         -2.14309546          1.81176297
     6         -2.30054647         -4.09564630         -1.47271244
     1         -4.65982098          1.85995797         -0.06673155
     1         -5.74753054         -0.45747117         -2.23388248
     1         -1.23032680          4.60840651         -1.67092280
     1          0.69143089          3.18777572         -4.00508959
     1         -1.34355663         -3.67049862         -3.24745136
     1         -4.14225117         -4.92038558         -1.90762434
     1         -1.18449193         -5.50425137         -0.46433365

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.426765D+00      0.108473D+01      0.361827D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.426765D+00      0.108473D+01      0.361827D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114610D+03      0.169835D+02      0.188967D+02
   aniso      0.540530D+02      0.800982D+01      0.891213D+01
   xx         0.126668D+03      0.187703D+02      0.208848D+02
   yx         0.148868D+02      0.220599D+01      0.245450D+01
   yy         0.112526D+03      0.166746D+02      0.185530D+02
   zx         0.207075D+02      0.306853D+01      0.341420D+01
   zy        -0.141025D+02     -0.208978D+01     -0.232519D+01
   zz         0.104636D+03      0.155055D+02      0.172522D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.122629D+03      0.181717D+02      0.202187D+02
   aniso      0.556789D+02      0.825076D+01      0.918021D+01
   xx         0.135128D+03      0.200239D+02      0.222796D+02
   yx         0.149146D+02      0.221011D+01      0.245908D+01
   yy         0.119944D+03      0.177739D+02      0.197761D+02
   zx         0.219457D+02      0.325202D+01      0.361836D+01
   zy        -0.141222D+02     -0.209270D+01     -0.232844D+01
   zz         0.112814D+03      0.167173D+02      0.186005D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-K10-12-01\Freq\RwB97XD\Gen\C10H12O1\PIERPA\18-Jul-2021\0\
 \#P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=RO
 A Guess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,2.556893
 ,0.962771,-0.130925\C,2.806469,-0.381564,0.128707\C,1.251477,1.398833,
 -0.297104\C,0.177898,0.511952,-0.211676\C,0.433041,-0.835657,0.047582\
 C,1.746757,-1.271183,0.21376\C,-1.245374,1.001383,-0.374974\C,-2.15384
 3,-0.180074,-0.70573\O,-1.97533,-1.227911,0.235605\C,-0.702105,-1.8296
 42,0.110251\H,3.377111,1.66524,-0.2036\H,3.821503,-0.731857,0.264537\H
 ,1.055538,2.445124,-0.502408\H,1.938106,-2.319299,0.415829\H,-1.27568,
 1.69661,-1.220779\C,-1.728541,1.739012,0.880156\H,-1.947031,-0.549488,
 -1.71978\H,-3.204706,0.105294,-0.652132\H,-0.67984,-2.462779,-0.79078\
 H,-0.58705,-2.485409,0.974413\H,-1.772163,1.053131,1.726763\H,-2.72572
 4,2.156512,0.723367\H,-1.053454,2.555217,1.139441\\Version=ES64L-G16Re
 vA.03\State=1-A\HF=-463.7270846\RMSD=1.239e-09\RMSF=4.846e-06\ZeroPoin
 t=0.1974092\Thermal=0.2064721\Dipole=0.2263472,0.1896665,-0.3080942\Di
 poleDeriv=-0.0070004,0.0557477,-0.0064327,0.0847898,0.0120688,-0.02730
 66,0.004059,-0.0202316,-0.1367021,0.0359808,-0.0270109,0.0287319,-0.06
 29989,-0.0332922,-0.0276806,0.0162706,-0.0270539,-0.1352782,-0.0846321
 ,0.0142308,0.0061013,-0.0166464,0.0955922,-0.0419179,0.0052094,-0.0347
 044,-0.1100475,0.1857478,-0.1163627,-0.0151508,-0.220074,-0.0907776,-0
 .0235962,0.0028346,-0.032516,-0.0927074,-0.0563761,0.1634363,0.0135362
 ,0.1744482,-0.0008093,0.0161671,0.005115,0.0101708,-0.0792168,-0.05622
 27,-0.0916985,0.0093963,-0.044225,0.0907938,-0.0467414,0.0180751,-0.04
 30216,-0.1115051,0.0222243,-0.0655919,-0.0037461,0.0144073,0.0641028,-
 0.0052956,0.004476,-0.0696659,0.1670105,0.3546624,0.0161578,0.0422868,
 -0.0272684,0.5185376,-0.1183278,0.1771116,-0.1542932,0.4731135,-0.7803
 533,0.1241528,-0.0247589,0.1711151,-0.7565201,0.128128,-0.071955,0.155
 3304,-0.498519,0.7157147,-0.1833342,0.0034587,-0.1901976,0.421608,0.05
 8981,-0.0488024,0.0617978,0.3699498,-0.0457153,-0.081942,0.0046734,-0.
 0910199,-0.0041664,0.0193769,0.003266,0.0193708,0.1298332,-0.0971123,0
 .048923,-0.0248251,0.0533956,0.0513922,0.0183391,-0.0262792,0.0188265,
 0.1286934,0.0579907,0.0504807,-0.0187976,0.0300362,-0.0909251,0.037353
 7,-0.0132583,0.042723,0.1054392,0.0589226,0.0113576,-0.0027704,0.03860
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 IN THE FIGHT BETWEEN YOU AND THE WORLD, BACK THE WORLD

                                        -- FRANZ KAFKA
 Job cpu time:       0 days 15 hours 36 minutes  6.8 seconds.
 Elapsed time:       0 days  1 hours 57 minutes 38.8 seconds.
 File lengths (MBytes):  RWF=    397 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Sun Jul 18 15:03:22 2021.
